1-methoxy-2-methylidene-3-propan-2-ylcyclohexane

C11H20O — CID 123754226

IUPAC1-methoxy-2-methylidene-3-propan-2-ylcyclohexane
SMILESC=C1C(OC)CCCC1C(C)C
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-7-11(12-4)9(10)3/h8,10-11H,3,5-7H2,1-2,4H3
InChIKeyAZAUTRRNQVTRGG-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds2

About 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane

1-methoxy-2-methylidene-3-propan-2-ylcyclohexane (PubChem CID 123754226) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methoxy-2-methylidene-3-propan-2-ylcyclohexane
PubChem CID123754226
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methoxy-2-methylidene-3-propan-2-ylcyclohexane
SMILESC=C1C(OC)CCCC1C(C)C
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-7-11(12-4)9(10)3/h8,10-11H,3,5-7H2,1-2,4H3
InChIKeyAZAUTRRNQVTRGG-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
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

2-Methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
Matatabiether
CID 5319300
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
2-Methylidene-1-propan-2-yl-3-(trifluoromethoxy)cyclohexane
CID 123341141
(4R)-1-(1-methoxyethyl)-4-methylcyclohexene
CID 155434955
[(1S)-1-methoxyprop-2-enyl]cyclohexane
CID 101659315
[(1R)-1-methoxyprop-2-enyl]cyclohexane
CID 101659316
Cyclohexyl (methoxymethyl)ethylene
CID 129813198
trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 134861120
2-Cyclohexyl-4-methyl-5-methylideneoxane
CID 134966506
2-Cyclohexyl-6-methylideneoxepane
CID 176427704

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane?
The IUPAC name of 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane (CID 123754226) is 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane?
The canonical SMILES for 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane is C=C1C(OC)CCCC1C(C)C.
What is the InChIKey of 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane?
The InChIKey is AZAUTRRNQVTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-6-5-7-11(12-4)9(10)3/h8,10-11H,3,5-7H2,1-2,4H3.
What are the key properties of 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane?
1-methoxy-2-methylidene-3-propan-2-ylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylidene-3-propan-2-ylcyclohexane is sourced from PubChem (CID 123754226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).