(3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol

C20H34O — CID 162955836

IUPAC(3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CC[C@@]1(C)C(CCC=C(C)C)=CCC[C@H]1C
InChIInChI=1S/C20H34O/c1-7-19(5,21)14-15-20(6)17(4)11-9-13-18(20)12-8-10-16(2)3/h7,10,13,17,21H,1,8-9,11-12,14-15H2,2-6H3/t17-,19-,20-/m1/s1
InChIKeyDETJKMZPBXGPIT-MISYRCLQSA-N
MW290.49 g/mol
LogP5.81
Rot. Bonds7

About (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol

(3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol (PubChem CID 162955836) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol
PubChem CID162955836
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CC[C@@]1(C)C(CCC=C(C)C)=CCC[C@H]1C
InChIInChI=1S/C20H34O/c1-7-19(5,21)14-15-20(6)17(4)11-9-13-18(20)12-8-10-16(2)3/h7,10,13,17,21H,1,8-9,11-12,14-15H2,2-6H3/t17-,19-,20-/m1/s1
InChIKeyDETJKMZPBXGPIT-MISYRCLQSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.81
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

3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135367664
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
3-[(E)-4,6-dimethylhept-3-enyl]furan;(5S,6S)-6-(2,2-dimethylpropyl)-1,5,6-trimethylcyclohexene
CID 161369183
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
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
(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal
CID 10998575
3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one
CID 85146845
(4aR,8S,8aS)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
CID 129316698
4-[(1R,6S)-2-(ethenoxymethyl)-1,6-dimethylcyclohex-2-en-1-yl]butanenitrile
CID 10868206
5-[(1R,2S,4aS)-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
CID 91747317
3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67878390

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol?
The IUPAC name of (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) is (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol.
What is the SMILES notation for (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol?
The canonical SMILES for (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol is C=C[C@@](C)(O)CC[C@@]1(C)C(CCC=C(C)C)=CCC[C@H]1C.
What is the InChIKey of (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol?
The InChIKey is DETJKMZPBXGPIT-MISYRCLQSA-N. The full InChI is InChI=1S/C20H34O/c1-7-19(5,21)14-15-20(6)17(4)11-9-13-18(20)12-8-10-16(2)3/h7,10,13,17,21H,1,8-9,11-12,14-15H2,2-6H3/t17-,19-,20-/m1/s1.
What are the key properties of (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol?
(3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol has a molecular weight of 290.49 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(1R,6R)-1,6-dimethyl-2-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol is sourced from PubChem (CID 162955836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).