(3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one

C13H22O2 — CID 162206745

IUPAC(3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one
SMILESC=C(CC(CC1CCCC1)C(C)=O)OC
InChIInChI=1S/C13H22O2/c1-10(15-3)8-13(11(2)14)9-12-6-4-5-7-12/h12-13H,1,4-9H2,2-3H3
InChIKeyZSHGFWOFRLWXKE-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds6

About (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one

(3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one (PubChem CID 162206745) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one.

Molecular Properties

Compound Name(3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one
PubChem CID162206745
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one
SMILESC=C(CC(CC1CCCC1)C(C)=O)OC
InChIInChI=1S/C13H22O2/c1-10(15-3)8-13(11(2)14)9-12-6-4-5-7-12/h12-13H,1,4-9H2,2-3H3
InChIKeyZSHGFWOFRLWXKE-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 88553037
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CID 88896494
1-[3-(1-Methoxyethenyl)-7-methylcyclooctyl]ethanone
CID 91269427
1-(2-Methylidene-5-propan-2-yloxolan-3-yl)propan-2-one
CID 122537423
methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one
CID 146282537
3-(5-Methoxy-3-methylhex-5-en-2-yl)cyclopentan-1-one
CID 146654109
7-Methyl-4-(prop-1-en-2-yloxymethyl)oct-7-en-2-one
CID 170278147
1-[4,4-Bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one
CID 10944984
2-(2-Methoxyprop-2-enyl)cyclopentan-1-one
CID 11084087
2-(3,4-dihydro-2H-pyran-5-yl)cyclopentan-1-one
CID 11768911
2-(2-Ethoxy-2-propenyl)cyclohexanone
CID 24972180
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CID 71417191

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one?
The IUPAC name of (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one (CID 162206745) is (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one.
What is the SMILES notation for (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one?
The canonical SMILES for (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one is C=C(CC(CC1CCCC1)C(C)=O)OC.
What is the InChIKey of (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one?
The InChIKey is ZSHGFWOFRLWXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(15-3)8-13(11(2)14)9-12-6-4-5-7-12/h12-13H,1,4-9H2,2-3H3.
What are the key properties of (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one?
(3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopentylmethyl)-5-methoxyhex-5-en-2-one is sourced from PubChem (CID 162206745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).