1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

C17H30 — CID 53487146

IUPAC1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyVPVLGLMCUCWKHU-HWKANZROSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds3

About 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 53487146) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID53487146
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyVPVLGLMCUCWKHU-HWKANZROSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
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-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 53487146) is 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is VPVLGLMCUCWKHU-HWKANZROSA-N. The full InChI is InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+.
What are the key properties of 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 234.43 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 53487146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).