(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane

C21H36 — CID 142894494

IUPAC(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane
SMILESC=C1CCC(/C=C/CCCCCC)[C@H]1C/C=C\CCCC
InChIInChI=1S/C21H36/c1-4-6-8-10-12-13-15-20-18-17-19(3)21(20)16-14-11-9-7-5-2/h11,13-15,20-21H,3-10,12,16-18H2,1-2H3/b14-11-,15-13+/t20?,21-/m0/s1
InChIKeyHDMWHPJERREFDB-UCLMVQGGSA-N
MW288.52 g/mol
LogP7.23
Rot. Bonds11

About (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane

(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane (PubChem CID 142894494) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane.

Molecular Properties

Compound Name(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane
PubChem CID142894494
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane
SMILESC=C1CCC(/C=C/CCCCCC)[C@H]1C/C=C\CCCC
InChIInChI=1S/C21H36/c1-4-6-8-10-12-13-15-20-18-17-19(3)21(20)16-14-11-9-7-5-2/h11,13-15,20-21H,3-10,12,16-18H2,1-2H3/b14-11-,15-13+/t20?,21-/m0/s1
InChIKeyHDMWHPJERREFDB-UCLMVQGGSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane
CID 142894484
trans-(2R,3R)-2-(8,8-dihydroxyoct-2-enyl)-3-oct-1-enylcyclopentan-1-one
CID 57296071
(Z)-7-[(1R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hept-5-enenitrile
CID 142894485
(E)-3-[(2R)-3-methylidene-2-octylcyclopentyl]prop-2-en-1-ol
CID 142894506
(2R)-3-[(E)-but-1-enyl]-2-[(Z)-hept-2-enyl]cyclopentan-1-one;pentane
CID 142894478
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
methyl (Z)-2-hydroxy-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
CID 70629103
cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one
CID 11435734
(Z)-2,2-dihydroxy-3-methyl-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hept-5-enal
CID 173421690
(E)-7-[2-oxo-5-[(E)-3-oxodec-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21403675
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane?
The IUPAC name of (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane (CID 142894494) is (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane.
What is the SMILES notation for (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane?
The canonical SMILES for (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane is C=C1CCC(/C=C/CCCCCC)[C@H]1C/C=C\CCCC.
What is the InChIKey of (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane?
The InChIKey is HDMWHPJERREFDB-UCLMVQGGSA-N. The full InChI is InChI=1S/C21H36/c1-4-6-8-10-12-13-15-20-18-17-19(3)21(20)16-14-11-9-7-5-2/h11,13-15,20-21H,3-10,12,16-18H2,1-2H3/b14-11-,15-13+/t20?,21-/m0/s1.
What are the key properties of (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane?
(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane has a molecular weight of 288.52 g/mol, XLogP of 7.23, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane is sourced from PubChem (CID 142894494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).