3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one

C15H24O3 — CID 71412265

IUPAC3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one
SMILESCC(C)=CCCC(C)=CCCC1C(=O)OCC1O
InChIInChI=1S/C15H24O3/c1-11(2)6-4-7-12(3)8-5-9-13-14(16)10-18-15(13)17/h6,8,13-14,16H,4-5,7,9-10H2,1-3H3
InChIKeyYJQDHKWKGHLXAL-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.99
Rot. Bonds6

About 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one

3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one (PubChem CID 71412265) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one
PubChem CID71412265
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one
SMILESCC(C)=CCCC(C)=CCCC1C(=O)OCC1O
InChIInChI=1S/C15H24O3/c1-11(2)6-4-7-12(3)8-5-9-13-14(16)10-18-15(13)17/h6,8,13-14,16H,4-5,7,9-10H2,1-3H3
InChIKeyYJQDHKWKGHLXAL-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.99
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

(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one
CID 171934941
(1S,5R,6R)-6-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 15240825
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
2-[(2R,5S)-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]oxan-2-yl]prop-2-enal
CID 12967374
2-[(2R,5S)-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]oxan-2-yl]ethanol
CID 24814410
(3aR,4S,7R,7aS)-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 121355154

Frequently Asked Questions

What is the IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one?
The IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one (CID 71412265) is 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one.
What is the SMILES notation for 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one?
The canonical SMILES for 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one is CC(C)=CCCC(C)=CCCC1C(=O)OCC1O.
What is the InChIKey of 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one?
The InChIKey is YJQDHKWKGHLXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)6-4-7-12(3)8-5-9-13-14(16)10-18-15(13)17/h6,8,13-14,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one?
3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one has a molecular weight of 252.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethylnona-3,7-dienyl)-4-hydroxyoxolan-2-one is sourced from PubChem (CID 71412265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).