4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

C75H122O3 — CID 161120092

IUPAC4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESC=C(C)C1CCC2=CC(=O)CC(C)C2(C)C1.C=C(C)C1CCC2=CCCC(C)C2(C)C1.C=C/C(C)=C\C/C=C(/C)CCC=C(C)C.C=CC(C)(O)CC/C=C(/C)CCC=C(C)C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CO
InChIInChI=1S/C15H22O.2C15H26O.2C15H24/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12;1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3;1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h8,11-12H,1,5-7,9H2,2-4H3;7,9,11,16H,5-6,8,10,12H2,1-4H3;6,9,11,16H,1,7-8,10,12H2,2-5H3;7,12-13H,1,5-6,8-10H2,2-4H3;6,9-10,12H,1,7-8,11H2,2-5H3/b;14-9-,15-11+;14-11-;;14-10-,15-12-
InChIKeyUKVJBVXMNAERSB-WOPQCPEMSA-N
MW1071.80 g/mol
LogP22.63
Rot. Bonds22

About 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol (PubChem CID 161120092) has the molecular formula C75H122O3 and a molecular weight of 1071.80 g/mol. Its IUPAC name is 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol.

Molecular Properties

Compound Name4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
PubChem CID161120092
Molecular FormulaC75H122O3
Molecular Weight1071.80 g/mol
Exact Mass1070.94
IUPAC Name4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESC=C(C)C1CCC2=CC(=O)CC(C)C2(C)C1.C=C(C)C1CCC2=CCCC(C)C2(C)C1.C=C/C(C)=C\C/C=C(/C)CCC=C(C)C.C=CC(C)(O)CC/C=C(/C)CCC=C(C)C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CO
InChIInChI=1S/C15H22O.2C15H26O.2C15H24/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12;1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3;1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h8,11-12H,1,5-7,9H2,2-4H3;7,9,11,16H,5-6,8,10,12H2,1-4H3;6,9,11,16H,1,7-8,10,12H2,2-5H3;7,12-13H,1,5-6,8-10H2,2-4H3;6,9-10,12H,1,7-8,11H2,2-5H3/b;14-9-,15-11+;14-11-;;14-10-,15-12-
InChIKeyUKVJBVXMNAERSB-WOPQCPEMSA-N
XLogP22.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.80
LogP ≤ 522.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol with MolForge

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Related Compounds

(4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 176717300
(4R,4aS)-4,4a-dimethyl-6-(2-methyloxiran-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one;(4R,4aS)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;methane
CID 158494987
1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 167683772
(3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol
CID 162955836
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 59882806
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
(3Z,5R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-[(4S)-4-hydroxy-4-methylhex-5-enylidene]oxolan-2-one
CID 162878046
(3E)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-(4-hydroxy-4-methylhex-5-enylidene)oxolan-2-one
CID 14633116
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
CID 3035757
3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135367664

Frequently Asked Questions

What is the IUPAC name of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The IUPAC name of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol (CID 161120092) is 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol.
What is the SMILES notation for 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The canonical SMILES for 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol is C=C(C)C1CCC2=CC(=O)CC(C)C2(C)C1.C=C(C)C1CCC2=CCCC(C)C2(C)C1.C=C/C(C)=C\C/C=C(/C)CCC=C(C)C.C=CC(C)(O)CC/C=C(/C)CCC=C(C)C.CC(C)=CCC/C(C)=C\CC/C(C)=C/CO.
What is the InChIKey of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The InChIKey is UKVJBVXMNAERSB-WOPQCPEMSA-N. The full InChI is InChI=1S/C15H22O.2C15H26O.2C15H24/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12;1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3;1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h8,11-12H,1,5-7,9H2,2-4H3;7,9,11,16H,5-6,8,10,12H2,1-4H3;6,9,11,16H,1,7-8,10,12H2,2-5H3;7,12-13H,1,5-6,8-10H2,2-4H3;6,9-10,12H,1,7-8,11H2,2-5H3/b;14-9-,15-11+;14-11-;;14-10-,15-12-.
What are the key properties of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol has a molecular weight of 1071.80 g/mol, XLogP of 22.63, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;(3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene;(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol is sourced from PubChem (CID 161120092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).