2-oxaspiro[4.5]decane

C9H16O — CID 13229868

IUPAC2-oxaspiro[4.5]decane
SMILESC1CCC2(CC1)CCOC2
InChIInChI=1S/C9H16O/c1-2-4-9(5-3-1)6-7-10-8-9/h1-8H2
InChIKeyMSGFWOAOTSDHNS-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds

About 2-oxaspiro[4.5]decane

2-oxaspiro[4.5]decane (PubChem CID 13229868) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-oxaspiro[4.5]decane
PubChem CID13229868
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-oxaspiro[4.5]decane
SMILESC1CCC2(CC1)CCOC2
InChIInChI=1S/C9H16O/c1-2-4-9(5-3-1)6-7-10-8-9/h1-8H2
InChIKeyMSGFWOAOTSDHNS-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-oxaspiro[4.5]decane with MolForge

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

Launch Full Analysis

Related Compounds

1-Oxaspiro(4.5)decane
CID 301168
2-(Cyclohexylmethyl)oxolane
CID 14027486
3-Cyclohexyltetrahydrofuran
CID 101089663
3-Methyl-2-oxaspiro[4.5]decane
CID 13229869
2-Oxaspiro[4.7]dodecane
CID 67441
2-Oxaspiro[5.5]undecane
CID 20300335
8-Deuterio-8-methyl-2-oxaspiro[4.5]decane
CID 162771232
1-[3-(7-Methoxyheptoxy)propyl]-1-propylcyclohexane
CID 170584492
(2S)-2-(cyclohexylmethyl)oxolane
CID 96565582
(2R)-2-(cyclohexylmethyl)oxolane
CID 96565583
3-Ethyl-2-oxaspiro[4.5]decane
CID 102162651
Trifluoro(2-oxaspiro[4.5]decan-8-yl)boranuide
CID 133678341

Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.5]decane?
The IUPAC name of 2-oxaspiro[4.5]decane (CID 13229868) is 2-oxaspiro[4.5]decane.
What is the SMILES notation for 2-oxaspiro[4.5]decane?
The canonical SMILES for 2-oxaspiro[4.5]decane is C1CCC2(CC1)CCOC2.
What is the InChIKey of 2-oxaspiro[4.5]decane?
The InChIKey is MSGFWOAOTSDHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-4-9(5-3-1)6-7-10-8-9/h1-8H2.
What are the key properties of 2-oxaspiro[4.5]decane?
2-oxaspiro[4.5]decane has a molecular weight of 140.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.5]decane is sourced from PubChem (CID 13229868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).