ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one

C17H30O2 — CID 142270233

IUPACethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one
SMILESCC.CC/C=C(\C)CC/C=C(\C)C1CC(=O)C(C)O1
InChIInChI=1S/C15H24O2.C2H6/c1-5-7-11(2)8-6-9-12(3)15-10-14(16)13(4)17-15;1-2/h7,9,13,15H,5-6,8,10H2,1-4H3;1-2H3/b11-7+,12-9+;
InChIKeyJBZWNBFJHHASAT-TZSSSIPKSA-N
MW266.42 g/mol
LogP4.84
Rot. Bonds5

About ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one

ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one (PubChem CID 142270233) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one.

Molecular Properties

Compound Nameethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one
PubChem CID142270233
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nameethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one
SMILESCC.CC/C=C(\C)CC/C=C(\C)C1CC(=O)C(C)O1
InChIInChI=1S/C15H24O2.C2H6/c1-5-7-11(2)8-6-9-12(3)15-10-14(16)13(4)17-15;1-2/h7,9,13,15H,5-6,8,10H2,1-4H3;1-2H3/b11-7+,12-9+;
InChIKeyJBZWNBFJHHASAT-TZSSSIPKSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-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

2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one
CID 134859165
5-Ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-one
CID 14924718
3-methyl-4-[(Z)-pent-2-enoxy]-2-prop-2-enylcyclopent-2-en-1-one
CID 13117143
5-[(2E,6E)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-2,2-dimethyloxolan-3-one
CID 13579138
(4E)-4-ethylidene-2,5-dimethyloxolan-3-one
CID 20566149
5-[(2E,6E)-8-bromo-6-methylocta-2,6-dien-2-yl]-2,2-dimethyloxolan-3-one
CID 44199948
4-Ethylidene-2,5-dimethyloxolan-3-one
CID 53672337
2,5-Dimethyl-4-(2-methylpropylidene)oxolan-3-one
CID 53979158
2-(8-Methoxy-7-oxooct-2-enyl)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one
CID 54210301
5-[(E)-hex-2-en-2-yl]-2,2-dimethyloxolan-3-one
CID 57978684
(5S)-5-[(E)-hex-2-en-2-yl]-2,2-dimethyloxolan-3-one
CID 57978685
2,2-dimethyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one
CID 60020483

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one?
The IUPAC name of ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one (CID 142270233) is ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one.
What is the SMILES notation for ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one?
The canonical SMILES for ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one is CC.CC/C=C(\C)CC/C=C(\C)C1CC(=O)C(C)O1.
What is the InChIKey of ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one?
The InChIKey is JBZWNBFJHHASAT-TZSSSIPKSA-N. The full InChI is InChI=1S/C15H24O2.C2H6/c1-5-7-11(2)8-6-9-12(3)15-10-14(16)13(4)17-15;1-2/h7,9,13,15H,5-6,8,10H2,1-4H3;1-2H3/b11-7+,12-9+;.
What are the key properties of ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one?
ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one has a molecular weight of 266.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one is sourced from PubChem (CID 142270233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).