(3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one

C15H26O2 — CID 143150363

IUPAC(3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one
SMILESCC1C/C(=C/CC[C@H](C)CC(C)(C)C)C(=O)O1
InChIInChI=1S/C15H26O2/c1-11(10-15(3,4)5)7-6-8-13-9-12(2)17-14(13)16/h8,11-12H,6-7,9-10H2,1-5H3/b13-8-/t11-,12?/m0/s1
InChIKeyDWPHDMQCQKCNPV-DUIDOTTJSA-N
MW238.37 g/mol
LogP4.10
Rot. Bonds4

About (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one

(3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one (PubChem CID 143150363) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one
PubChem CID143150363
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one
SMILESCC1C/C(=C/CC[C@H](C)CC(C)(C)C)C(=O)O1
InChIInChI=1S/C15H26O2/c1-11(10-15(3,4)5)7-6-8-13-9-12(2)17-14(13)16/h8,11-12H,6-7,9-10H2,1-5H3/b13-8-/t11-,12?/m0/s1
InChIKeyDWPHDMQCQKCNPV-DUIDOTTJSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one?
The IUPAC name of (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one (CID 143150363) is (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one?
The canonical SMILES for (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one is CC1C/C(=C/CC[C@H](C)CC(C)(C)C)C(=O)O1.
What is the InChIKey of (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one?
The InChIKey is DWPHDMQCQKCNPV-DUIDOTTJSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(10-15(3,4)5)7-6-8-13-9-12(2)17-14(13)16/h8,11-12H,6-7,9-10H2,1-5H3/b13-8-/t11-,12?/m0/s1.
What are the key properties of (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one?
(3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-3-[(4S)-4,6,6-trimethylheptylidene]oxolan-2-one is sourced from PubChem (CID 143150363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).