4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane

C18H30O2 — CID 174373573

IUPAC4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane
SMILESCC(C)=C1OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C18H30O2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h14-17H,3-12H2,1-2H3
InChIKeyURRPSQUJFFFQBA-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.18
Rot. Bonds2

About 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane

4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane (PubChem CID 174373573) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane
PubChem CID174373573
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane
SMILESCC(C)=C1OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C18H30O2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h14-17H,3-12H2,1-2H3
InChIKeyURRPSQUJFFFQBA-UHFFFAOYSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane?
The IUPAC name of 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane (CID 174373573) is 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane.
What is the SMILES notation for 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane?
The canonical SMILES for 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane is CC(C)=C1OC(C2CCCCC2)C(C2CCCCC2)O1.
What is the InChIKey of 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane?
The InChIKey is URRPSQUJFFFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h14-17H,3-12H2,1-2H3.
What are the key properties of 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane?
4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane has a molecular weight of 278.44 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane is sourced from PubChem (CID 174373573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).