cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one

C14H24O — CID 11435734

IUPACcis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one
SMILESCCCCCC/C=C/[C@H]1CCC(=O)[C@H]1C
InChIInChI=1S/C14H24O/c1-3-4-5-6-7-8-9-13-10-11-14(15)12(13)2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+/t12-,13-/m0/s1
InChIKeyMVFWBDNXCVBFNA-TYDXBBDOSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds6

About cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one

cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one (PubChem CID 11435734) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one
PubChem CID11435734
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Namecis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one
SMILESCCCCCC/C=C/[C@H]1CCC(=O)[C@H]1C
InChIInChI=1S/C14H24O/c1-3-4-5-6-7-8-9-13-10-11-14(15)12(13)2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+/t12-,13-/m0/s1
InChIKeyMVFWBDNXCVBFNA-TYDXBBDOSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
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 cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
trans-(2R,3R)-3-[(1E,5E)-4-hydroxynona-1,5-dienyl]-2-methylcyclopentan-1-one
CID 70810435
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
trans-(2R,3R)-2-(6,7-dihydroxy-5-oxohept-6-enyl)-3-[(E)-oct-1-enyl]cyclopentan-1-one
CID 173439856
trans-(1S,2R)-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 14470420
2-hydroxy-2-[4-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]butoxy]acetic acid
CID 54120122
(Z)-2,2-dihydroxy-3-methyl-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hept-5-enal
CID 173421690
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
cis-(2S,3R)-2-iodo-1-methyl-3-[(E)-oct-1-enyl]cyclopentane
CID 163432728
(2R)-2-[(Z)-hept-2-enyl]-1-methylidene-3-[(E)-oct-1-enyl]cyclopentane
CID 142894494
(2R)-3-[(E)-but-1-enyl]-2-[(Z)-hept-2-enyl]cyclopentan-1-one;pentane
CID 142894478

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one?
The IUPAC name of cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one (CID 11435734) is cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one.
What is the SMILES notation for cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one?
The canonical SMILES for cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one is CCCCCC/C=C/[C@H]1CCC(=O)[C@H]1C.
What is the InChIKey of cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one?
The InChIKey is MVFWBDNXCVBFNA-TYDXBBDOSA-N. The full InChI is InChI=1S/C14H24O/c1-3-4-5-6-7-8-9-13-10-11-14(15)12(13)2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+/t12-,13-/m0/s1.
What are the key properties of cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one?
cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 11435734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).