1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane

C12H22 — CID 134979287

IUPAC1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane
SMILESC=C(C)C(CCCC)C1(C)CC1
InChIInChI=1S/C12H22/c1-5-6-7-11(10(2)3)12(4)8-9-12/h11H,2,5-9H2,1,3-4H3
InChIKeyHQEYWIJBLZPPQU-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds5

About 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane

1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane (PubChem CID 134979287) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane.

Molecular Properties

Compound Name1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane
PubChem CID134979287
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane
SMILESC=C(C)C(CCCC)C1(C)CC1
InChIInChI=1S/C12H22/c1-5-6-7-11(10(2)3)12(4)8-9-12/h11H,2,5-9H2,1,3-4H3
InChIKeyHQEYWIJBLZPPQU-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane?
The IUPAC name of 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane (CID 134979287) is 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane.
What is the SMILES notation for 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane?
The canonical SMILES for 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane is C=C(C)C(CCCC)C1(C)CC1.
What is the InChIKey of 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane?
The InChIKey is HQEYWIJBLZPPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-6-7-11(10(2)3)12(4)8-9-12/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane?
1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylhept-1-en-3-yl)cyclopropane is sourced from PubChem (CID 134979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).