3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane

C11H20O — CID 167100938

IUPAC3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1(C)CCCC(OC)C1
InChIInChI=1S/C11H20O/c1-4-7-11(2)8-5-6-10(9-11)12-3/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyQWEKWZUMQNOXLP-QPJJXVBHSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane

3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane (PubChem CID 167100938) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane
PubChem CID167100938
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1(C)CCCC(OC)C1
InChIInChI=1S/C11H20O/c1-4-7-11(2)8-5-6-10(9-11)12-3/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyQWEKWZUMQNOXLP-QPJJXVBHSA-N
XLogP3.16
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 ≤ 53.16
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

(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine
CID 130488649
1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine
CID 71054744
(7-methoxyspiro[2.5]octan-2-yl)methanamine
CID 106874327
1,1,3-trimethoxycycloheptane
CID 86078996
3-methoxycyclohexane-1,1-dicarboxylic acid
CID 18968479
1-cyclobutyl-3-methoxycyclohexan-1-ol
CID 106873805
3-methoxyspiro[4.4]nonane
CID 129102731
2-(1-amino-3-methoxycyclohexyl)acetic acid
CID 106874447
butyl 1-amino-3-methoxycyclohexane-1-carboxylate
CID 151543053
2-(chloromethyl)-7-methoxyspiro[2.5]octane
CID 106875015
6-methoxy-1-azaspiro[3.5]nonan-2-one
CID 106874445
4-methoxy-1-methylcyclohexan-1-amine
CID 59419772

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane (CID 167100938) is 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1(C)CCCC(OC)C1.
What is the InChIKey of 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is QWEKWZUMQNOXLP-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-11(2)8-5-6-10(9-11)12-3/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane?
3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 167100938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).