cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol

C13H24O — CID 72704279

IUPACcis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol
SMILESCCCCC/C=C\[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h6,9,12-14H,2-5,7-8,10-11H2,1H3/b9-6-/t12-,13-/m0/s1
InChIKeyNDWVYACRXINHCD-LFCSJDMJSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds5

About cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol

cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol (PubChem CID 72704279) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol
PubChem CID72704279
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Namecis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol
SMILESCCCCC/C=C\[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h6,9,12-14H,2-5,7-8,10-11H2,1H3/b9-6-/t12-,13-/m0/s1
InChIKeyNDWVYACRXINHCD-LFCSJDMJSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
non-1-enylcyclopentane
CID 86065492
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
(3R)-3-[(E)-oct-1-enyl]cyclopenten-1-ol
CID 134894559
1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
CID 173282079

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol (CID 72704279) is cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol is CCCCC/C=C\[C@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol?
The InChIKey is NDWVYACRXINHCD-LFCSJDMJSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h6,9,12-14H,2-5,7-8,10-11H2,1H3/b9-6-/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 72704279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).