4-ethenyl-1-methoxy-3-methyloctane

C12H24O — CID 91426806

IUPAC4-ethenyl-1-methoxy-3-methyloctane
SMILESC=CC(CCCC)C(C)CCOC
InChIInChI=1S/C12H24O/c1-5-7-8-12(6-2)11(3)9-10-13-4/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyXFTXZFUYQPDHKD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.65
Rot. Bonds8

About 4-ethenyl-1-methoxy-3-methyloctane

4-ethenyl-1-methoxy-3-methyloctane (PubChem CID 91426806) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-ethenyl-1-methoxy-3-methyloctane.

Molecular Properties

Compound Name4-ethenyl-1-methoxy-3-methyloctane
PubChem CID91426806
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-ethenyl-1-methoxy-3-methyloctane
SMILESC=CC(CCCC)C(C)CCOC
InChIInChI=1S/C12H24O/c1-5-7-8-12(6-2)11(3)9-10-13-4/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyXFTXZFUYQPDHKD-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.65
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

3-Cyclohexyldihydropyran
CID 20290313
3-(2-Fluoro-1-methoxypropan-2-yl)cyclohexene
CID 89383945
8,9-Difluoro-10-methoxy-3,6,7-trimethylundec-1-ene
CID 123735951
(6R,7S,8S)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene
CID 168880825
(4R,6R,8R)-8-fluoro-6-(methoxymethyl)-4,6-dimethyldec-1-ene
CID 168881014
(6S,7S,8R)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene
CID 168881135
(4R,6S,8R)-8-fluoro-6-(methoxymethyl)-4,6-dimethyldec-1-ene
CID 168881231
(6R,7R,8S)-8-fluoro-6-(methoxymethyl)-6,7-dimethyldec-1-ene
CID 168881344
(3S,5S,7R)-7-fluoro-5-(methoxymethyl)-3,5-dimethylnon-1-ene
CID 169849868
(5R,6S,7S)-7-fluoro-5-(methoxymethyl)-5,6-dimethylnon-1-ene
CID 169849874
(3R,5S,7R)-7-fluoro-5-(methoxymethyl)-3,5-dimethylnon-1-ene
CID 169849969
(5S,6S,7S)-7-fluoro-5-(methoxymethyl)-5,6-dimethylnon-1-ene
CID 169849976

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methoxy-3-methyloctane?
The IUPAC name of 4-ethenyl-1-methoxy-3-methyloctane (CID 91426806) is 4-ethenyl-1-methoxy-3-methyloctane.
What is the SMILES notation for 4-ethenyl-1-methoxy-3-methyloctane?
The canonical SMILES for 4-ethenyl-1-methoxy-3-methyloctane is C=CC(CCCC)C(C)CCOC.
What is the InChIKey of 4-ethenyl-1-methoxy-3-methyloctane?
The InChIKey is XFTXZFUYQPDHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-8-12(6-2)11(3)9-10-13-4/h6,11-12H,2,5,7-10H2,1,3-4H3.
What are the key properties of 4-ethenyl-1-methoxy-3-methyloctane?
4-ethenyl-1-methoxy-3-methyloctane has a molecular weight of 184.32 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methoxy-3-methyloctane is sourced from PubChem (CID 91426806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).