1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane

C18H32O — CID 91361324

IUPAC1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C(C)OCC)CC2)CC1
InChIInChI=1S/C18H32O/c1-4-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(3)19-5-2/h4,14-18H,1,5-13H2,2-3H3
InChIKeyUSOBLLMLIQZVBC-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.21
Rot. Bonds5

About 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane

1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane (PubChem CID 91361324) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
PubChem CID91361324
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C(C)OCC)CC2)CC1
InChIInChI=1S/C18H32O/c1-4-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(3)19-5-2/h4,14-18H,1,5-13H2,2-3H3
InChIKeyUSOBLLMLIQZVBC-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 67853298
1-ethenyl-4-[1-(4-ethenylcyclohexyl)ethyl]cyclohexane
CID 153439228
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
1-pentyl-4-[4-(1-prop-2-enoxyethyl)cyclohexyl]cyclohexane
CID 19800711
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-ethenyl-4-[1-(4-methoxycyclohexyl)but-3-enyl]cyclohexane
CID 19070054
1-(4-ethenylcyclohexyl)propan-1-ol
CID 141349608
1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 139748793
ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate
CID 89302696
dimethoxysilane;1-ethoxyethylcyclopropane;methanamine
CID 175354718
1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane
CID 155647310

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane (CID 91361324) is 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(C(C)OCC)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane?
The InChIKey is USOBLLMLIQZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-4-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(3)19-5-2/h4,14-18H,1,5-13H2,2-3H3.
What are the key properties of 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane?
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane has a molecular weight of 264.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 91361324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).