8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane

C19H32O2 — CID 139947964

IUPAC8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESCC=CCCC1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21-19/h2-3,16-18H,4-15H2,1H3
InChIKeyYULXMLAHRCOVEI-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.08
Rot. Bonds4

About 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane

8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 139947964) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane
PubChem CID139947964
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESCC=CCCC1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21-19/h2-3,16-18H,4-15H2,1H3
InChIKeyYULXMLAHRCOVEI-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.08
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-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane (CID 139947964) is 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane is CC=CCCC1CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is YULXMLAHRCOVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21-19/h2-3,16-18H,4-15H2,1H3.
What are the key properties of 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane?
8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 292.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pent-3-enylcyclohexyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 139947964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).