3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one

C103H190O7 — CID 159124807

IUPAC3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
SMILESC.C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.C=CC(C)(O)CCC=C(C)C.C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)C.CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC(=O)CC/C=C(\C)CCC=C(C)C.CC(=O)CCC=C(C)C.CC(=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H40O.C18H36O.C18H30O.C15H26O.C13H22O.C10H18O.C8H14O.CH4/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3;2*1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19;1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3;1-11(2)7-5-8-12(3)9-6-10-13(4)14;1-5-10(4,11)8-6-7-9(2)3;1-7(2)5-4-6-8(3)9;/h7,17-19,21H,1,8-16H2,2-6H3;15-17H,6-14H2,1-5H3;9,11,13H,6-8,10,12,14H2,1-5H3;6,9,11,16H,1,7-8,10,12H2,2-5H3;7,9H,5-6,8,10H2,1-4H3;5,7,11H,1,6,8H2,2-4H3;5H,4,6H2,1-3H3;1H4/b;;16-11+,17-13+;14-11+;12-9+;;;
InChIKeyKGDMCROZYZKLQD-ZKVAQCDBSA-N
MW1540.65 g/mol
LogP32.22
Rot. Bonds54

About 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one

3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one (PubChem CID 159124807) has the molecular formula C103H190O7 and a molecular weight of 1540.65 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
PubChem CID159124807
Molecular FormulaC103H190O7
Molecular Weight1540.65 g/mol
Exact Mass1539.45
IUPAC Name3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
SMILESC.C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.C=CC(C)(O)CCC=C(C)C.C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)C.CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC(=O)CC/C=C(\C)CCC=C(C)C.CC(=O)CCC=C(C)C.CC(=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H40O.C18H36O.C18H30O.C15H26O.C13H22O.C10H18O.C8H14O.CH4/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3;2*1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19;1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3;1-11(2)7-5-8-12(3)9-6-10-13(4)14;1-5-10(4,11)8-6-7-9(2)3;1-7(2)5-4-6-8(3)9;/h7,17-19,21H,1,8-16H2,2-6H3;15-17H,6-14H2,1-5H3;9,11,13H,6-8,10,12,14H2,1-5H3;6,9,11,16H,1,7-8,10,12H2,2-5H3;7,9H,5-6,8,10H2,1-4H3;5,7,11H,1,6,8H2,2-4H3;5H,4,6H2,1-3H3;1H4/b;;16-11+,17-13+;14-11+;12-9+;;;
InChIKeyKGDMCROZYZKLQD-ZKVAQCDBSA-N
XLogP32.22
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds54
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001540.65
LogP ≤ 532.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one with MolForge

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Launch Full Analysis

Related Compounds

(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
acetic acid;nonan-2-one;3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CID 159991235
3,7-dimethylocta-1,6-dien-3-ol;2,6-dimethyloctane;3,7-dimethyloctan-3-ol;3,7-dimethyloct-2-ene
CID 162276605
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol
CID 174949943
[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate
CID 24837759
3,3-dihydroxy-8,12,16,20-tetramethylhenicos-7-en-4-one
CID 175386593
3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-1,6,50-triene-3,10,11,15,19,23,27,31,35,39,43,47-dodecol
CID 85221340
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
2-[(6E,10E)-3-hydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10-dienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 54591644
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
The IUPAC name of 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one (CID 159124807) is 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one.
What is the SMILES notation for 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
The canonical SMILES for 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one is C.C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.C=CC(C)(O)CCC=C(C)C.C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)C.CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC(=O)CC/C=C(\C)CCC=C(C)C.CC(=O)CCC=C(C)C.CC(=O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
The InChIKey is KGDMCROZYZKLQD-ZKVAQCDBSA-N. The full InChI is InChI=1S/C20H40O.C18H36O.C18H30O.C15H26O.C13H22O.C10H18O.C8H14O.CH4/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3;2*1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19;1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3;1-11(2)7-5-8-12(3)9-6-10-13(4)14;1-5-10(4,11)8-6-7-9(2)3;1-7(2)5-4-6-8(3)9;/h7,17-19,21H,1,8-16H2,2-6H3;15-17H,6-14H2,1-5H3;9,11,13H,6-8,10,12,14H2,1-5H3;6,9,11,16H,1,7-8,10,12H2,2-5H3;7,9H,5-6,8,10H2,1-4H3;5,7,11H,1,6,8H2,2-4H3;5H,4,6H2,1-3H3;1H4/b;;16-11+,17-13+;14-11+;12-9+;;;.
What are the key properties of 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one has a molecular weight of 1540.65 g/mol, XLogP of 32.22, 54 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one is sourced from PubChem (CID 159124807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).