(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol

C16H28O — CID 135296629

IUPAC(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@](C)(O)[C@]1(C)CC=C(C)CC1
InChIInChI=1S/C16H28O/c1-13(2)7-6-10-16(5,17)15(4)11-8-14(3)9-12-15/h7-8,17H,6,9-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyZERSDKXNSOGPAT-HZPDHXFCSA-N
MW236.40 g/mol
LogP4.62
Rot. Bonds4

About (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol

(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol (PubChem CID 135296629) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
PubChem CID135296629
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@](C)(O)[C@]1(C)CC=C(C)CC1
InChIInChI=1S/C16H28O/c1-13(2)7-6-10-16(5,17)15(4)11-8-14(3)9-12-15/h7-8,17H,6,9-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyZERSDKXNSOGPAT-HZPDHXFCSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.62
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

[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride
CID 171118726
2-(3a,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-azulen-1-yl)-6-methylhept-5-en-2-ol
CID 14193944
(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol
CID 162890541
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
CID 171666172
[(1S)-4-methyl-1-(6-methylhepta-1,5-dien-2-yl)cyclohex-3-en-1-yl] acetate
CID 102125310
(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 56847472
4-methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091
1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
CID 74819495
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
2-methyl-2-[(1S)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal
CID 102388255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
The IUPAC name of (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol (CID 135296629) is (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
The canonical SMILES for (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol is CC(C)=CCC[C@@](C)(O)[C@]1(C)CC=C(C)CC1.
What is the InChIKey of (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
The InChIKey is ZERSDKXNSOGPAT-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H28O/c1-13(2)7-6-10-16(5,17)15(4)11-8-14(3)9-12-15/h7-8,17H,6,9-12H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol has a molecular weight of 236.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol is sourced from PubChem (CID 135296629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).