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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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).