4-methoxy-2-methyl-1-methylidenecyclohexane

C9H16O — CID 90727195

IUPAC4-methoxy-2-methyl-1-methylidenecyclohexane
SMILESC=C1CCC(OC)CC1C
InChIInChI=1S/C9H16O/c1-7-4-5-9(10-3)6-8(7)2/h8-9H,1,4-6H2,2-3H3
InChIKeyKWGOSVUKGOQVGO-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 4-methoxy-2-methyl-1-methylidenecyclohexane

4-methoxy-2-methyl-1-methylidenecyclohexane (PubChem CID 90727195) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-methylidenecyclohexane.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-methylidenecyclohexane
PubChem CID90727195
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methoxy-2-methyl-1-methylidenecyclohexane
SMILESC=C1CCC(OC)CC1C
InChIInChI=1S/C9H16O/c1-7-4-5-9(10-3)6-8(7)2/h8-9H,1,4-6H2,2-3H3
InChIKeyKWGOSVUKGOQVGO-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

(E)-p-mentha-1(7),8-dien-2-hydroperoxide
CID 10103548
(2S,4S)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 636730
2-Methylidene-5-(prop-1-EN-2-YL)cyclohexane-1-peroxol
CID 564367
2-Hydroxy-4-isopropenylcyclohexane
CID 58534577
1-Fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 10442437
1-Methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane
CID 91433927
1-(2-Methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 143587510
cis-(1R,3S)-1-[(E)-3-fluoro-2-methylprop-1-enyl]-3-methoxycyclohexane
CID 156509208
Cyclohexane, 1-(ethoxymethyl)-4-methylene-
CID 564665
1-Methoxy-1-methyl-4-methylidenecyclohexane
CID 10534753
1-Hydroperoxy-3-(2-methylprop-2-enyl)cyclohexane
CID 85316463
cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane
CID 101103845

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-methylidenecyclohexane?
The IUPAC name of 4-methoxy-2-methyl-1-methylidenecyclohexane (CID 90727195) is 4-methoxy-2-methyl-1-methylidenecyclohexane.
What is the SMILES notation for 4-methoxy-2-methyl-1-methylidenecyclohexane?
The canonical SMILES for 4-methoxy-2-methyl-1-methylidenecyclohexane is C=C1CCC(OC)CC1C.
What is the InChIKey of 4-methoxy-2-methyl-1-methylidenecyclohexane?
The InChIKey is KWGOSVUKGOQVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-9(10-3)6-8(7)2/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 4-methoxy-2-methyl-1-methylidenecyclohexane?
4-methoxy-2-methyl-1-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 4-methoxy-2-methyl-1-methylidenecyclohexane is sourced from PubChem (CID 90727195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).