4-spiro[4.5]decan-8-ylcyclohexan-1-one

C16H26O — CID 162454238

IUPAC4-spiro[4.5]decan-8-ylcyclohexan-1-one
SMILESO=C1CCC(C2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C16H26O/c17-15-5-3-13(4-6-15)14-7-11-16(12-8-14)9-1-2-10-16/h13-14H,1-12H2
InChIKeyYMZYVQGBSWNQKA-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.50
Rot. Bonds1

About 4-spiro[4.5]decan-8-ylcyclohexan-1-one

4-spiro[4.5]decan-8-ylcyclohexan-1-one (PubChem CID 162454238) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-spiro[4.5]decan-8-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-spiro[4.5]decan-8-ylcyclohexan-1-one
PubChem CID162454238
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-spiro[4.5]decan-8-ylcyclohexan-1-one
SMILESO=C1CCC(C2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C16H26O/c17-15-5-3-13(4-6-15)14-7-11-16(12-8-14)9-1-2-10-16/h13-14H,1-12H2
InChIKeyYMZYVQGBSWNQKA-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-spiro[4.5]decan-8-ylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-spiro[4.5]decan-8-ylcyclohexan-1-one?
The IUPAC name of 4-spiro[4.5]decan-8-ylcyclohexan-1-one (CID 162454238) is 4-spiro[4.5]decan-8-ylcyclohexan-1-one.
What is the SMILES notation for 4-spiro[4.5]decan-8-ylcyclohexan-1-one?
The canonical SMILES for 4-spiro[4.5]decan-8-ylcyclohexan-1-one is O=C1CCC(C2CCC3(CCCC3)CC2)CC1.
What is the InChIKey of 4-spiro[4.5]decan-8-ylcyclohexan-1-one?
The InChIKey is YMZYVQGBSWNQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c17-15-5-3-13(4-6-15)14-7-11-16(12-8-14)9-1-2-10-16/h13-14H,1-12H2.
What are the key properties of 4-spiro[4.5]decan-8-ylcyclohexan-1-one?
4-spiro[4.5]decan-8-ylcyclohexan-1-one has a molecular weight of 234.38 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[4.5]decan-8-ylcyclohexan-1-one is sourced from PubChem (CID 162454238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).