1-methoxy-3-methyl-5-methylidenecyclohexane

C9H16O — CID 15140790

IUPAC1-methoxy-3-methyl-5-methylidenecyclohexane
SMILESC=C1CC(C)CC(OC)C1
InChIInChI=1S/C9H16O/c1-7-4-8(2)6-9(5-7)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyYAKAWZDATKTMHT-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 1-methoxy-3-methyl-5-methylidenecyclohexane

1-methoxy-3-methyl-5-methylidenecyclohexane (PubChem CID 15140790) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5-methylidenecyclohexane.

Molecular Properties

Compound Name1-methoxy-3-methyl-5-methylidenecyclohexane
PubChem CID15140790
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-methoxy-3-methyl-5-methylidenecyclohexane
SMILESC=C1CC(C)CC(OC)C1
InChIInChI=1S/C9H16O/c1-7-4-8(2)6-9(5-7)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyYAKAWZDATKTMHT-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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

1-Methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane
CID 91433927
cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane
CID 156509208
2,2-Dimethyl-5-(prop-1-en-2-yl)oxane
CID 71429158
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
cis-(1S,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291129
trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291130
1-Hydroperoxy-3-(2-methylprop-2-enyl)cyclohexane
CID 85316463
cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane
CID 101103845
1-Methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
CID 101411637
trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 134861120
1,1-Difluoro-3-methoxy-5-prop-1-en-2-ylcyclohexane
CID 168250854
2,6-Dimethyl-3-prop-1-en-2-yloxane
CID 3833578

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-5-methylidenecyclohexane?
The IUPAC name of 1-methoxy-3-methyl-5-methylidenecyclohexane (CID 15140790) is 1-methoxy-3-methyl-5-methylidenecyclohexane.
What is the SMILES notation for 1-methoxy-3-methyl-5-methylidenecyclohexane?
The canonical SMILES for 1-methoxy-3-methyl-5-methylidenecyclohexane is C=C1CC(C)CC(OC)C1.
What is the InChIKey of 1-methoxy-3-methyl-5-methylidenecyclohexane?
The InChIKey is YAKAWZDATKTMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-8(2)6-9(5-7)10-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 1-methoxy-3-methyl-5-methylidenecyclohexane?
1-methoxy-3-methyl-5-methylidenecyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5-methylidenecyclohexane is sourced from PubChem (CID 15140790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).