8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane

C17H28O2 — CID 139703624

IUPAC8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCCC1=CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C17H28O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19-17/h4,15-16H,2-3,5-13H2,1H3
InChIKeyQAXDYZUHYIMSHQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.45
Rot. Bonds3

About 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane

8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 139703624) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID139703624
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCCC1=CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C17H28O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19-17/h4,15-16H,2-3,5-13H2,1H3
InChIKeyQAXDYZUHYIMSHQ-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.45
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-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane (CID 139703624) is 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane is CCCC1=CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is QAXDYZUHYIMSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19-17/h4,15-16H,2-3,5-13H2,1H3.
What are the key properties of 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 264.41 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 139703624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).