(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol

C21H38O — CID 70607428

IUPAC(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C\CCC(C)CO
InChIInChI=1S/C21H38O/c1-3-4-5-6-7-10-14-20-16-12-17-21(20)15-11-8-9-13-19(2)18-22/h8,10-11,14,19-22H,3-7,9,12-13,15-18H2,1-2H3/b11-8-,14-10+/t19?,20-,21-/m0/s1
InChIKeyGJHTWRITYYJGET-JHDSPEEKSA-N
MW306.53 g/mol
LogP6.28
Rot. Bonds12

About (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol

(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol (PubChem CID 70607428) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol.

Molecular Properties

Compound Name(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
PubChem CID70607428
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C\CCC(C)CO
InChIInChI=1S/C21H38O/c1-3-4-5-6-7-10-14-20-16-12-17-21(20)15-11-8-9-13-19(2)18-22/h8,10-11,14,19-22H,3-7,9,12-13,15-18H2,1-2H3/b11-8-,14-10+/t19?,20-,21-/m0/s1
InChIKeyGJHTWRITYYJGET-JHDSPEEKSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.28
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'}

Analyze (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
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
methyl 7-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-(oxan-2-yloxy)hept-5-enoate
CID 70519486
[(Z)-8-[(1R,2S)-2-[(E)-dec-1-enyl]cyclopentyl]-2,2-dihydroxyoct-6-enyl] acetate
CID 70607210
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
CID 54030734

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol?
The IUPAC name of (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol (CID 70607428) is (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol.
What is the SMILES notation for (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol?
The canonical SMILES for (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol is CCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C\CCC(C)CO.
What is the InChIKey of (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol?
The InChIKey is GJHTWRITYYJGET-JHDSPEEKSA-N. The full InChI is InChI=1S/C21H38O/c1-3-4-5-6-7-10-14-20-16-12-17-21(20)15-11-8-9-13-19(2)18-22/h8,10-11,14,19-22H,3-7,9,12-13,15-18H2,1-2H3/b11-8-,14-10+/t19?,20-,21-/m0/s1.
What are the key properties of (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol?
(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol has a molecular weight of 306.53 g/mol, XLogP of 6.28, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol is sourced from PubChem (CID 70607428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).