(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol

C15H26O — CID 134861402

IUPAC(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
SMILESC=CC(C)(C)C/C(C)=C/CC[C@@](C)(O)C=C
InChIInChI=1S/C15H26O/c1-7-14(4,5)12-13(3)10-9-11-15(6,16)8-2/h7-8,10,16H,1-2,9,11-12H2,3-6H3/b13-10+/t15-/m0/s1
InChIKeyACSWRHVMFZOFGF-VOMSXAGXSA-N
MW222.37 g/mol
LogP4.25
Rot. Bonds7

About (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol

(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol (PubChem CID 134861402) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol.

Molecular Properties

Compound Name(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
PubChem CID134861402
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
SMILESC=CC(C)(C)C/C(C)=C/CC[C@@](C)(O)C=C
InChIInChI=1S/C15H26O/c1-7-14(4,5)12-13(3)10-9-11-15(6,16)8-2/h7-8,10,16H,1-2,9,11-12H2,3-6H3/b13-10+/t15-/m0/s1
InChIKeyACSWRHVMFZOFGF-VOMSXAGXSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188
(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine
CID 126733231
(6E,9E)-3,7,11-trimethyldodeca-1,6,9-trien-3-ol
CID 91751280
(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044

Frequently Asked Questions

What is the IUPAC name of (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol?
The IUPAC name of (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol (CID 134861402) is (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol.
What is the SMILES notation for (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol?
The canonical SMILES for (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol is C=CC(C)(C)C/C(C)=C/CC[C@@](C)(O)C=C.
What is the InChIKey of (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol?
The InChIKey is ACSWRHVMFZOFGF-VOMSXAGXSA-N. The full InChI is InChI=1S/C15H26O/c1-7-14(4,5)12-13(3)10-9-11-15(6,16)8-2/h7-8,10,16H,1-2,9,11-12H2,3-6H3/b13-10+/t15-/m0/s1.
What are the key properties of (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol?
(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol has a molecular weight of 222.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol is sourced from PubChem (CID 134861402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).