8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane

C18H28O2 — CID 118423723

IUPAC8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CC(=C2CCC(C3CCC4(CC3)OCCO4)CC2)C1
InChIInChI=1S/C18H28O2/c1-2-14(3-1)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20-18/h16-17H,1-13H2
InChIKeyZXJWXAWPODBESJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.59
Rot. Bonds1

About 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane

8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 118423723) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
PubChem CID118423723
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CC(=C2CCC(C3CCC4(CC3)OCCO4)CC2)C1
InChIInChI=1S/C18H28O2/c1-2-14(3-1)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20-18/h16-17H,1-13H2
InChIKeyZXJWXAWPODBESJ-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane (CID 118423723) is 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane is C1CC(=C2CCC(C3CCC4(CC3)OCCO4)CC2)C1.
What is the InChIKey of 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is ZXJWXAWPODBESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-2-14(3-1)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20-18/h16-17H,1-13H2.
What are the key properties of 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 276.42 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 118423723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).