(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one

C15H23ClO2 — CID 162935179

IUPAC(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
SMILESCC1=CC(=O)CC(C)(C)[C@@]12CC[C@@](C)(O)[C@@H](Cl)C2
InChIInChI=1S/C15H23ClO2/c1-10-7-11(17)8-13(2,3)15(10)6-5-14(4,18)12(16)9-15/h7,12,18H,5-6,8-9H2,1-4H3/t12-,14+,15+/m0/s1
InChIKeyFFJGHAJGNCTETN-NWANDNLSSA-N
MW270.80 g/mol
LogP3.46
Rot. Bonds

About (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one

(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one (PubChem CID 162935179) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one.

Molecular Properties

Compound Name(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
PubChem CID162935179
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
SMILESCC1=CC(=O)CC(C)(C)[C@@]12CC[C@@](C)(O)[C@@H](Cl)C2
InChIInChI=1S/C15H23ClO2/c1-10-7-11(17)8-13(2,3)15(10)6-5-14(4,18)12(16)9-15/h7,12,18H,5-6,8-9H2,1-4H3/t12-,14+,15+/m0/s1
InChIKeyFFJGHAJGNCTETN-NWANDNLSSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one 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

9-bromo-10-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
CID 14108773
(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
CID 71393641
(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one
CID 70976594
2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 85290962
(1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one
CID 89213647
4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 14135401
4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 5280654
(4S)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 14135402
(4R)-4-hydroxy-4-[(3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 162958923
methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate
CID 10265549
4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 566734
ethyl 1,2,6,6-tetramethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 13149428

Frequently Asked Questions

What is the IUPAC name of (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one?
The IUPAC name of (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one (CID 162935179) is (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one.
What is the SMILES notation for (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one?
The canonical SMILES for (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one is CC1=CC(=O)CC(C)(C)[C@@]12CC[C@@](C)(O)[C@@H](Cl)C2.
What is the InChIKey of (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one?
The InChIKey is FFJGHAJGNCTETN-NWANDNLSSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-10-7-11(17)8-13(2,3)15(10)6-5-14(4,18)12(16)9-15/h7,12,18H,5-6,8-9H2,1-4H3/t12-,14+,15+/m0/s1.
What are the key properties of (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one?
(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one has a molecular weight of 270.80 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one is sourced from PubChem (CID 162935179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).