3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane

C15H26O — CID 162821747

IUPAC3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
SMILESCC(C)=CCCC(C)=CCCC1OC1(C)C
InChIInChI=1S/C15H26O/c1-12(2)8-6-9-13(3)10-7-11-14-15(4,5)16-14/h8,10,14H,6-7,9,11H2,1-5H3
InChIKeyGDZKVFAAHPZNAI-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds6

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

3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane (PubChem CID 162821747) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
PubChem CID162821747
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
SMILESCC(C)=CCCC(C)=CCCC1OC1(C)C
InChIInChI=1S/C15H26O/c1-12(2)8-6-9-13(3)10-7-11-14-15(4,5)16-14/h8,10,14H,6-7,9,11H2,1-5H3
InChIKeyGDZKVFAAHPZNAI-UHFFFAOYSA-N
XLogP4.64
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(3E,7E,11E,13E,15E,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaenyl]-2,2-dimethyloxirane
CID 163021444
(3S)-3-[(3E,7E,11E,15E)-12-ethyl-3,7,16,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane
CID 102315854
(2E,6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-2,6,10,14-tetraenal
CID 10836859
3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 168749328
(5E,9E)-12-[(2R)-3,3-dimethyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-one
CID 6446781
(3S)-3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 11783576
3-[(3Z,7Z,9E,11E,13E,15E,17Z,19E,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,17,19,23,27-decaenyl]-2,2-dimethyloxirane
CID 131751261
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
(3E)-10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienenitrile
CID 135009471
(4E,8E)-11-[(2S)-3,3-dimethyloxiran-2-yl]-5,9-dimethylundeca-4,8-dienenitrile
CID 155935115
3-[(3E,11E,15E)-16-ethynyl-3,7,12,19-tetramethylicosa-3,7,11,15,18-pentaenyl]-2,2-dimethyloxirane
CID 10025289
(6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal
CID 10527202

Frequently Asked Questions

What is the IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane (CID 162821747) is 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane is CC(C)=CCCC(C)=CCCC1OC1(C)C.
What is the InChIKey of 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane?
The InChIKey is GDZKVFAAHPZNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)8-6-9-13(3)10-7-11-14-15(4,5)16-14/h8,10,14H,6-7,9,11H2,1-5H3.
What are the key properties of 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane?
3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane has a molecular weight of 222.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane is sourced from PubChem (CID 162821747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).