1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane

C19H32O2 — CID 11833232

IUPAC1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane
SMILESC=COC1CCC(C(C)(C)C2CCC(OC=C)CC2)CC1
InChIInChI=1S/C19H32O2/c1-5-20-17-11-7-15(8-12-17)19(3,4)16-9-13-18(14-10-16)21-6-2/h5-6,15-18H,1-2,7-14H2,3-4H3
InChIKeyQFWOOSBCZMIIAT-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.45
Rot. Bonds6

About 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane

1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane (PubChem CID 11833232) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane
PubChem CID11833232
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane
SMILESC=COC1CCC(C(C)(C)C2CCC(OC=C)CC2)CC1
InChIInChI=1S/C19H32O2/c1-5-20-17-11-7-15(8-12-17)19(3,4)16-9-13-18(14-10-16)21-6-2/h5-6,15-18H,1-2,7-14H2,3-4H3
InChIKeyQFWOOSBCZMIIAT-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane?
The IUPAC name of 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane (CID 11833232) is 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane.
What is the SMILES notation for 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane?
The canonical SMILES for 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane is C=COC1CCC(C(C)(C)C2CCC(OC=C)CC2)CC1.
What is the InChIKey of 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane?
The InChIKey is QFWOOSBCZMIIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-5-20-17-11-7-15(8-12-17)19(3,4)16-9-13-18(14-10-16)21-6-2/h5-6,15-18H,1-2,7-14H2,3-4H3.
What are the key properties of 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane?
1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane has a molecular weight of 292.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-[2-(4-ethenoxycyclohexyl)propan-2-yl]cyclohexane is sourced from PubChem (CID 11833232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).