1-methyl-2-(2-methylpropylidene)cycloheptane

C12H22 — CID 134902820

IUPAC1-methyl-2-(2-methylpropylidene)cycloheptane
SMILESCC(C)C=C1CCCCCC1C
InChIInChI=1S/C12H22/c1-10(2)9-12-8-6-4-5-7-11(12)3/h9-11H,4-8H2,1-3H3
InChIKeyJREZYJVNFCUUEN-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds1

About 1-methyl-2-(2-methylpropylidene)cycloheptane

1-methyl-2-(2-methylpropylidene)cycloheptane (PubChem CID 134902820) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropylidene)cycloheptane.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropylidene)cycloheptane
PubChem CID134902820
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-methyl-2-(2-methylpropylidene)cycloheptane
SMILESCC(C)C=C1CCCCCC1C
InChIInChI=1S/C12H22/c1-10(2)9-12-8-6-4-5-7-11(12)3/h9-11H,4-8H2,1-3H3
InChIKeyJREZYJVNFCUUEN-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
CID 140611088
(2E)-2-(2-methylpropylidene)cyclopentan-1-ol
CID 14568108
(1R,2Z)-2-(2-methylpropylidene)cyclopentan-1-ol
CID 87967393
(2E)-2-[(2S)-2-methylcyclohexylidene]acetonitrile
CID 98172997
(2E)-2-[(2S)-2-methylcyclohexylidene]acetic acid
CID 12956886
hydron;(2E)-2-(2-methylcyclopentylidene)ethanimine
CID 102271864
(1E)-1-(3-chloropropylidene)-2-methylcyclohexane
CID 131357173
2-methyl-N-propan-2-ylcyclohexan-1-imine
CID 11263611
N-(cyclohexylideneamino)-2-methylcyclohexan-1-imine
CID 70615985
3-methylcyclododecane-1,2-dione
CID 12995105
1-methyl-2-(2-methylpropylidene)-3-propylcyclohexane
CID 90743397

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropylidene)cycloheptane?
The IUPAC name of 1-methyl-2-(2-methylpropylidene)cycloheptane (CID 134902820) is 1-methyl-2-(2-methylpropylidene)cycloheptane.
What is the SMILES notation for 1-methyl-2-(2-methylpropylidene)cycloheptane?
The canonical SMILES for 1-methyl-2-(2-methylpropylidene)cycloheptane is CC(C)C=C1CCCCCC1C.
What is the InChIKey of 1-methyl-2-(2-methylpropylidene)cycloheptane?
The InChIKey is JREZYJVNFCUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)9-12-8-6-4-5-7-11(12)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylpropylidene)cycloheptane?
1-methyl-2-(2-methylpropylidene)cycloheptane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropylidene)cycloheptane is sourced from PubChem (CID 134902820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).