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

C19H30O2 — CID 118119046

IUPAC8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CCC(=C2CCC(C3CCC4(CC3)OCCO4)CC2)C1
InChIInChI=1S/C19H30O2/c1-2-4-15(3-1)16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21-19/h17-18H,1-14H2
InChIKeyJIOORIHQNHFIQR-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.98
Rot. Bonds1

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

8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 118119046) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
PubChem CID118119046
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESC1CCC(=C2CCC(C3CCC4(CC3)OCCO4)CC2)C1
InChIInChI=1S/C19H30O2/c1-2-4-15(3-1)16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21-19/h17-18H,1-14H2
InChIKeyJIOORIHQNHFIQR-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.98
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-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane (CID 118119046) is 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane is C1CCC(=C2CCC(C3CCC4(CC3)OCCO4)CC2)C1.
What is the InChIKey of 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is JIOORIHQNHFIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-4-15(3-1)16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21-19/h17-18H,1-14H2.
What are the key properties of 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 290.45 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 118119046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).