1-methoxy-2-methyl-3-methylidenecyclohexene

C9H14O — CID 67978383

IUPAC1-methoxy-2-methyl-3-methylidenecyclohexene
SMILESC=C1CCCC(OC)=C1C
InChIInChI=1S/C9H14O/c1-7-5-4-6-9(10-3)8(7)2/h1,4-6H2,2-3H3
InChIKeyCSIXFTONDRWVNV-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds1

About 1-methoxy-2-methyl-3-methylidenecyclohexene

1-methoxy-2-methyl-3-methylidenecyclohexene (PubChem CID 67978383) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-methylidenecyclohexene.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-methylidenecyclohexene
PubChem CID67978383
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-methoxy-2-methyl-3-methylidenecyclohexene
SMILESC=C1CCCC(OC)=C1C
InChIInChI=1S/C9H14O/c1-7-5-4-6-9(10-3)8(7)2/h1,4-6H2,2-3H3
InChIKeyCSIXFTONDRWVNV-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-methylidenecyclohexene?
The IUPAC name of 1-methoxy-2-methyl-3-methylidenecyclohexene (CID 67978383) is 1-methoxy-2-methyl-3-methylidenecyclohexene.
What is the SMILES notation for 1-methoxy-2-methyl-3-methylidenecyclohexene?
The canonical SMILES for 1-methoxy-2-methyl-3-methylidenecyclohexene is C=C1CCCC(OC)=C1C.
What is the InChIKey of 1-methoxy-2-methyl-3-methylidenecyclohexene?
The InChIKey is CSIXFTONDRWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-5-4-6-9(10-3)8(7)2/h1,4-6H2,2-3H3.
What are the key properties of 1-methoxy-2-methyl-3-methylidenecyclohexene?
1-methoxy-2-methyl-3-methylidenecyclohexene has a molecular weight of 138.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-methylidenecyclohexene is sourced from PubChem (CID 67978383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).