4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one

C15H26O2 — CID 71103192

IUPAC4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one
SMILESCC1CCCCCCC12C(C)CC(=O)C2(C)O
InChIInChI=1S/C15H26O2/c1-11-8-6-4-5-7-9-15(11)12(2)10-13(16)14(15,3)17/h11-12,17H,4-10H2,1-3H3
InChIKeyAINIODBRYGUVLJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.32
Rot. Bonds

About 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one

4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one (PubChem CID 71103192) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one.

Molecular Properties

Compound Name4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one
PubChem CID71103192
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one
SMILESCC1CCCCCCC12C(C)CC(=O)C2(C)O
InChIInChI=1S/C15H26O2/c1-11-8-6-4-5-7-9-15(11)12(2)10-13(16)14(15,3)17/h11-12,17H,4-10H2,1-3H3
InChIKeyAINIODBRYGUVLJ-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hydroxyepiacorone
CID 85272666
(1aS,4aS,7R,7aR,7bS)-7-hydroxy-1,1,7-trimethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-4-one
CID 21577262
(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
Bicyclo[3.3.0]octan-3-one, 6-hydroxy-6-methyl-
CID 538568
4-Hydroxy-4-methyl-1-(1-methylethyl)-bicyclo[3.1.0]hexan-3-one
CID 68770857
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
(1R*,4R*)-1-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-2-one
CID 11357212
(1R*,4S*)-1-Hydroxy-1,4-dimethylspiro[4.6]undecan-2-one
CID 11435769
(1S,4R,5S,7R)-4-hydroxy-1,4,7,9,9-pentamethylspiro[4.5]decan-3-one
CID 11736563

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one?
The IUPAC name of 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one (CID 71103192) is 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one.
What is the SMILES notation for 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one?
The canonical SMILES for 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one is CC1CCCCCCC12C(C)CC(=O)C2(C)O.
What is the InChIKey of 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one?
The InChIKey is AINIODBRYGUVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-8-6-4-5-7-9-15(11)12(2)10-13(16)14(15,3)17/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one?
4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one is sourced from PubChem (CID 71103192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).