10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene

C18H32O — CID 143716484

IUPAC10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCC(C)C2=C1CCOC2
InChIInChI=1S/C18H32O/c1-3-9-16-11-8-6-4-5-7-10-15(2)18-14-19-13-12-17(16)18/h15-16H,3-14H2,1-2H3
InChIKeyZBFILUQGPMJPIM-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.50
Rot. Bonds2

About 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene

10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene (PubChem CID 143716484) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene.

Molecular Properties

Compound Name10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene
PubChem CID143716484
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCC(C)C2=C1CCOC2
InChIInChI=1S/C18H32O/c1-3-9-16-11-8-6-4-5-7-10-15(2)18-14-19-13-12-17(16)18/h15-16H,3-14H2,1-2H3
InChIKeyZBFILUQGPMJPIM-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b]pyran
CID 143716329
11-methyl-5-propyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyrazine
CID 143716410
(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane
CID 90743397
(NZ)-N-[(2S)-2-propylcyclohexylidene]hydroxylamine
CID 93493217
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312
(3R)-1,2-dimethyl-3-propylcyclohexene
CID 143703597
propylcyclotetradecane
CID 90991550
2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-one
CID 62613023
9-propyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 12574118
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
CID 103057733
3-propyl-1-oxacyclohexadec-7-en-2-one
CID 67424934

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene?
The IUPAC name of 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene (CID 143716484) is 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene.
What is the SMILES notation for 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene?
The canonical SMILES for 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene is CCCC1CCCCCCCC(C)C2=C1CCOC2.
What is the InChIKey of 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene?
The InChIKey is ZBFILUQGPMJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-3-9-16-11-8-6-4-5-7-10-15(2)18-14-19-13-12-17(16)18/h15-16H,3-14H2,1-2H3.
What are the key properties of 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene?
10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene has a molecular weight of 264.45 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-propyl-13-oxabicyclo[9.4.0]pentadec-1(11)-ene is sourced from PubChem (CID 143716484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).