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

C18H30 — CID 18724338

IUPAC1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(/C=C/C)CC2)CC1
InChIInChI=1S/C18H30/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-6,15-18H,7-14H2,1-2H3/b5-3+,6-4+
InChIKeyINDIWWBFPCCGNS-GGWOSOGESA-N
MW246.44 g/mol
LogP5.75
Rot. Bonds3

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

1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 18724338) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID18724338
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(/C=C/C)CC2)CC1
InChIInChI=1S/C18H30/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-6,15-18H,7-14H2,1-2H3/b5-3+,6-4+
InChIKeyINDIWWBFPCCGNS-GGWOSOGESA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.75
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-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 18724338) is 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCC(C2CCC(/C=C/C)CC2)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is INDIWWBFPCCGNS-GGWOSOGESA-N. The full InChI is InChI=1S/C18H30/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-6,15-18H,7-14H2,1-2H3/b5-3+,6-4+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 246.44 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 18724338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).