5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one

C13H18O2 — CID 134865751

IUPAC5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one
SMILESC=C1CC(C)([C@@H]2CC=C(C)CC2)OC1=O
InChIInChI=1S/C13H18O2/c1-9-4-6-11(7-5-9)13(3)8-10(2)12(14)15-13/h4,11H,2,5-8H2,1,3H3/t11-,13?/m1/s1
InChIKeyFRUWSHQKTPNRJK-JTDNENJMSA-N
MW206.28 g/mol
LogP2.99
Rot. Bonds1

About 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one

5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one (PubChem CID 134865751) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one
PubChem CID134865751
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one
SMILESC=C1CC(C)([C@@H]2CC=C(C)CC2)OC1=O
InChIInChI=1S/C13H18O2/c1-9-4-6-11(7-5-9)13(3)8-10(2)12(14)15-13/h4,11H,2,5-8H2,1,3H3/t11-,13?/m1/s1
InChIKeyFRUWSHQKTPNRJK-JTDNENJMSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one?
The IUPAC name of 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one (CID 134865751) is 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one?
The canonical SMILES for 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one is C=C1CC(C)([C@@H]2CC=C(C)CC2)OC1=O.
What is the InChIKey of 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one?
The InChIKey is FRUWSHQKTPNRJK-JTDNENJMSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-4-6-11(7-5-9)13(3)8-10(2)12(14)15-13/h4,11H,2,5-8H2,1,3H3/t11-,13?/m1/s1.
What are the key properties of 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one?
5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one is sourced from PubChem (CID 134865751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).