2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one

C16H26O2 — CID 72624064

IUPAC2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one
SMILESCCC=C(C)CCC=C(C)C1CC(=O)C(C)(C)O1
InChIInChI=1S/C16H26O2/c1-6-8-12(2)9-7-10-13(3)14-11-15(17)16(4,5)18-14/h8,10,14H,6-7,9,11H2,1-5H3
InChIKeySIXVLMVATKHAOV-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.21
Rot. Bonds5

About 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one

2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one (PubChem CID 72624064) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one
PubChem CID72624064
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one
SMILESCCC=C(C)CCC=C(C)C1CC(=O)C(C)(C)O1
InChIInChI=1S/C16H26O2/c1-6-8-12(2)9-7-10-13(3)14-11-15(17)16(4,5)18-14/h8,10,14H,6-7,9,11H2,1-5H3
InChIKeySIXVLMVATKHAOV-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one
CID 162882478
5-[(2E,6E)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-2,2-dimethyloxolan-3-one
CID 13579138
5-[(2E,6E)-8-bromo-6-methylocta-2,6-dien-2-yl]-2,2-dimethyloxolan-3-one
CID 44199948
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
5-(8-Hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one
CID 73184984
5-Hex-2-en-2-yl-2,2-dimethyloxolan-3-one
CID 76694493
(5S)-5-hex-2-en-2-yl-2,2-dimethyloxolan-3-one
CID 90803407
5-[(2E,6E)-8-methoxy-6-methylocta-2,6-dien-2-yl]-2,2-dimethyloxolan-3-one
CID 117997886
5-(2,3-Dimethylbut-1-enyl)oxolan-3-one
CID 140006383
2-ethyl-4-(2-ethylbutyl)-5-[(E)-pent-2-en-3-yl]oxolan-3-one
CID 140298622

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one?
The IUPAC name of 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one (CID 72624064) is 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one?
The canonical SMILES for 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one is CCC=C(C)CCC=C(C)C1CC(=O)C(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one?
The InChIKey is SIXVLMVATKHAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-8-12(2)9-7-10-13(3)14-11-15(17)16(4,5)18-14/h8,10,14H,6-7,9,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one?
2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one has a molecular weight of 250.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one is sourced from PubChem (CID 72624064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).