(1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one

C16H28O2 — CID 11357212

IUPAC(1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one
SMILESC[C@@H]1CC(=O)[C@](C)(O)C12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H28O2/c1-11-7-12(17)15(6,18)16(11)9-13(2,3)8-14(4,5)10-16/h11,18H,7-10H2,1-6H3/t11-,15+/m1/s1
InChIKeyDLFATRPSUKNSKP-ABAIWWIYSA-N
MW252.40 g/mol
LogP3.57
Rot. Bonds

About (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one

(1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one (PubChem CID 11357212) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one
PubChem CID11357212
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one
SMILESC[C@@H]1CC(=O)[C@](C)(O)C12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H28O2/c1-11-7-12(17)15(6,18)16(11)9-13(2,3)8-14(4,5)10-16/h11,18H,7-10H2,1-6H3/t11-,15+/m1/s1
InChIKeyDLFATRPSUKNSKP-ABAIWWIYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one with MolForge

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Related Compounds

1-Hydroxyepiacorone
CID 85272666
(1S,4R,5S,8S)-4,8-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
CID 60156053
1-[(1S,3aR,7S,7aS)-3a-hydroxy-7,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]-2-methylpropan-1-one
CID 15275881
Dihydrochiloscypholone
CID 91747870
(1S,4R,5S)-4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 45096397
(1S,4S,5S)-4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 130754406
(1R,4S,5S,8S)-1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]decane-2,7-dione
CID 10800820
(1R,4R)-1-hydroxy-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 11084089
4-Hydroxy-4-methyl-1-(1-methylethyl)-bicyclo[3.1.0]hexan-3-one
CID 68770857
Acetylborneol
CID 73083158
4-Hydroxy-beta-thujone
CID 129846273
(1R,4R,5S,7R)-4-hydroxy-1,4,7,9,9-pentamethylspiro[4.5]decan-3-one
CID 11241890

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
The IUPAC name of (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one (CID 11357212) is (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one.
What is the SMILES notation for (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
The canonical SMILES for (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one is C[C@@H]1CC(=O)[C@](C)(O)C12CC(C)(C)CC(C)(C)C2.
What is the InChIKey of (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
The InChIKey is DLFATRPSUKNSKP-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11-7-12(17)15(6,18)16(11)9-13(2,3)8-14(4,5)10-16/h11,18H,7-10H2,1-6H3/t11-,15+/m1/s1.
What are the key properties of (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
(1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one has a molecular weight of 252.40 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one is sourced from PubChem (CID 11357212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).