(2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one

C14H24O2 — CID 10398728

IUPAC(2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one
SMILESCCCCC[C@H]1CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C14H24O2/c1-2-3-5-8-12-11-13(15)14(16-12)9-6-4-7-10-14/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyJVDJWEZWHZHMIV-LBPRGKRZSA-N
MW224.34 g/mol
LogP3.63
Rot. Bonds4

About (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one

(2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one (PubChem CID 10398728) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one
PubChem CID10398728
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one
SMILESCCCCC[C@H]1CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C14H24O2/c1-2-3-5-8-12-11-13(15)14(16-12)9-6-4-7-10-14/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyJVDJWEZWHZHMIV-LBPRGKRZSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one?
The IUPAC name of (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one (CID 10398728) is (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one is CCCCC[C@H]1CC(=O)C2(CCCCC2)O1.
What is the InChIKey of (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one?
The InChIKey is JVDJWEZWHZHMIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-5-8-12-11-13(15)14(16-12)9-6-4-7-10-14/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one?
(2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one has a molecular weight of 224.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 10398728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).