5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one

C15H24O3 — CID 73184984

IUPAC5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one
SMILESCC(=CCO)CCC=C(C)C1CC(=O)C(C)(C)O1
InChIInChI=1S/C15H24O3/c1-11(8-9-16)6-5-7-12(2)13-10-14(17)15(3,4)18-13/h7-8,13,16H,5-6,9-10H2,1-4H3
InChIKeyDDTRYPBDOPUXHX-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.79
Rot. Bonds5

About 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one

5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one (PubChem CID 73184984) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one
PubChem CID73184984
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one
SMILESCC(=CCO)CCC=C(C)C1CC(=O)C(C)(C)O1
InChIInChI=1S/C15H24O3/c1-11(8-9-16)6-5-7-12(2)13-10-14(17)15(3,4)18-13/h7-8,13,16H,5-6,9-10H2,1-4H3
InChIKeyDDTRYPBDOPUXHX-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
2,2-Dimethyl-5-(6-methylnona-2,6-dien-2-yl)oxolan-3-one
CID 72624064
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
ethane;2-methyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]oxolan-3-one
CID 142270233
2,2-dimethyl-5-[(E)-6-methylnon-2-en-2-yl]oxolan-3-one
CID 142855216
2,2-dimethyl-5-[(2Z,6E)-6-methylocta-2,6-dien-2-yl]oxolan-3-one
CID 173964050

Frequently Asked Questions

What is the IUPAC name of 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one?
The IUPAC name of 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one (CID 73184984) is 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one.
What is the SMILES notation for 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one?
The canonical SMILES for 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one is CC(=CCO)CCC=C(C)C1CC(=O)C(C)(C)O1.
What is the InChIKey of 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one?
The InChIKey is DDTRYPBDOPUXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(8-9-16)6-5-7-12(2)13-10-14(17)15(3,4)18-13/h7-8,13,16H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one?
5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one has a molecular weight of 252.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-hydroxy-6-methylocta-2,6-dien-2-yl)-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 73184984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).