[(3S)-2-methylhex-5-en-3-yl]cyclopentane

C12H22 — CID 59039407

IUPAC[(3S)-2-methylhex-5-en-3-yl]cyclopentane
SMILESC=CC[C@@H](C(C)C)C1CCCC1
InChIInChI=1S/C12H22/c1-4-7-12(10(2)3)11-8-5-6-9-11/h4,10-12H,1,5-9H2,2-3H3/t12-/m0/s1
InChIKeyHDNDKUCMIPAEOV-LBPRGKRZSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds4

About [(3S)-2-methylhex-5-en-3-yl]cyclopentane

[(3S)-2-methylhex-5-en-3-yl]cyclopentane (PubChem CID 59039407) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is [(3S)-2-methylhex-5-en-3-yl]cyclopentane.

Molecular Properties

Compound Name[(3S)-2-methylhex-5-en-3-yl]cyclopentane
PubChem CID59039407
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name[(3S)-2-methylhex-5-en-3-yl]cyclopentane
SMILESC=CC[C@@H](C(C)C)C1CCCC1
InChIInChI=1S/C12H22/c1-4-7-12(10(2)3)11-8-5-6-9-11/h4,10-12H,1,5-9H2,2-3H3/t12-/m0/s1
InChIKeyHDNDKUCMIPAEOV-LBPRGKRZSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-methylhex-5-en-3-yl]cyclopentane?
The IUPAC name of [(3S)-2-methylhex-5-en-3-yl]cyclopentane (CID 59039407) is [(3S)-2-methylhex-5-en-3-yl]cyclopentane.
What is the SMILES notation for [(3S)-2-methylhex-5-en-3-yl]cyclopentane?
The canonical SMILES for [(3S)-2-methylhex-5-en-3-yl]cyclopentane is C=CC[C@@H](C(C)C)C1CCCC1.
What is the InChIKey of [(3S)-2-methylhex-5-en-3-yl]cyclopentane?
The InChIKey is HDNDKUCMIPAEOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22/c1-4-7-12(10(2)3)11-8-5-6-9-11/h4,10-12H,1,5-9H2,2-3H3/t12-/m0/s1.
What are the key properties of [(3S)-2-methylhex-5-en-3-yl]cyclopentane?
[(3S)-2-methylhex-5-en-3-yl]cyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-methylhex-5-en-3-yl]cyclopentane is sourced from PubChem (CID 59039407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).