1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane

C13H24 — CID 142208127

IUPAC1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane
SMILESC/C=C\C1(CC)CCCC(C)CC1
InChIInChI=1S/C13H24/c1-4-9-13(5-2)10-6-7-12(3)8-11-13/h4,9,12H,5-8,10-11H2,1-3H3/b9-4-
InChIKeyVORYUHNWLIGPCA-WTKPLQERSA-N
MW180.34 g/mol
LogP4.56
Rot. Bonds2

About 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane

1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane (PubChem CID 142208127) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane.

Molecular Properties

Compound Name1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane
PubChem CID142208127
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane
SMILESC/C=C\C1(CC)CCCC(C)CC1
InChIInChI=1S/C13H24/c1-4-9-13(5-2)10-6-7-12(3)8-11-13/h4,9,12H,5-8,10-11H2,1-3H3/b9-4-
InChIKeyVORYUHNWLIGPCA-WTKPLQERSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.56
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-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane?
The IUPAC name of 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane (CID 142208127) is 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane.
What is the SMILES notation for 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane?
The canonical SMILES for 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane is C/C=C\C1(CC)CCCC(C)CC1.
What is the InChIKey of 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane?
The InChIKey is VORYUHNWLIGPCA-WTKPLQERSA-N. The full InChI is InChI=1S/C13H24/c1-4-9-13(5-2)10-6-7-12(3)8-11-13/h4,9,12H,5-8,10-11H2,1-3H3/b9-4-.
What are the key properties of 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane?
1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane has a molecular weight of 180.34 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane is sourced from PubChem (CID 142208127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).