(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one

C14H24O2 — CID 10561124

IUPAC(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one
SMILESCO[C@H]1CCC[C@@]12C[C@H](C(C)C)CCC2=O
InChIInChI=1S/C14H24O2/c1-10(2)11-6-7-12(15)14(9-11)8-4-5-13(14)16-3/h10-11,13H,4-9H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyUSSYAOLLLAOPDY-XBFCOCLRSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds2

About (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one

(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one (PubChem CID 10561124) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one
PubChem CID10561124
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one
SMILESCO[C@H]1CCC[C@@]12C[C@H](C(C)C)CCC2=O
InChIInChI=1S/C14H24O2/c1-10(2)11-6-7-12(15)14(9-11)8-4-5-13(14)16-3/h10-11,13H,4-9H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyUSSYAOLLLAOPDY-XBFCOCLRSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-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 (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
The IUPAC name of (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one (CID 10561124) is (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one.
What is the SMILES notation for (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
The canonical SMILES for (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one is CO[C@H]1CCC[C@@]12C[C@H](C(C)C)CCC2=O.
What is the InChIKey of (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
The InChIKey is USSYAOLLLAOPDY-XBFCOCLRSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)11-6-7-12(15)14(9-11)8-4-5-13(14)16-3/h10-11,13H,4-9H2,1-3H3/t11-,13+,14+/m1/s1.
What are the key properties of (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one has a molecular weight of 224.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one is sourced from PubChem (CID 10561124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).