3-methoxy-3,7-dimethylnon-1-ene

C12H24O — CID 118474485

IUPAC3-methoxy-3,7-dimethylnon-1-ene
SMILESC=CC(C)(CCCC(C)CC)OC
InChIInChI=1S/C12H24O/c1-6-11(3)9-8-10-12(4,7-2)13-5/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyPXIPZWZMGOGEDA-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds7

About 3-methoxy-3,7-dimethylnon-1-ene

3-methoxy-3,7-dimethylnon-1-ene (PubChem CID 118474485) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-methoxy-3,7-dimethylnon-1-ene.

Molecular Properties

Compound Name3-methoxy-3,7-dimethylnon-1-ene
PubChem CID118474485
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-methoxy-3,7-dimethylnon-1-ene
SMILESC=CC(C)(CCCC(C)CC)OC
InChIInChI=1S/C12H24O/c1-6-11(3)9-8-10-12(4,7-2)13-5/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyPXIPZWZMGOGEDA-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.79
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

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3-Ethenyl-3-prop-2-enoxyundec-1-ene
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2-Ethenyl-2-hexyloxetane
CID 102530736
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CID 129649311
(2R)-2-ethenyl-2-hexyloxirane
CID 154718439
3-Methoxy-2,3-dimethylundec-1-ene
CID 155803303
1-Ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane
CID 57049237
2-Ethenyl-2-ethyl-3,4,5-trimethyloxane
CID 58210465
1-Methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane
CID 70556110

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,7-dimethylnon-1-ene?
The IUPAC name of 3-methoxy-3,7-dimethylnon-1-ene (CID 118474485) is 3-methoxy-3,7-dimethylnon-1-ene.
What is the SMILES notation for 3-methoxy-3,7-dimethylnon-1-ene?
The canonical SMILES for 3-methoxy-3,7-dimethylnon-1-ene is C=CC(C)(CCCC(C)CC)OC.
What is the InChIKey of 3-methoxy-3,7-dimethylnon-1-ene?
The InChIKey is PXIPZWZMGOGEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-11(3)9-8-10-12(4,7-2)13-5/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of 3-methoxy-3,7-dimethylnon-1-ene?
3-methoxy-3,7-dimethylnon-1-ene has a molecular weight of 184.32 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,7-dimethylnon-1-ene is sourced from PubChem (CID 118474485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).