3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one

C20H32O3 — CID 163063397

IUPAC3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
SMILESCC1C(O)CC(=O)C2(C)CCC3C4C(C)(CO)CCC4(C)CC132
InChIInChI=1S/C20H32O3/c1-12-14(22)9-15(23)19(4)6-5-13-16-17(2,10-20(12,13)19)7-8-18(16,3)11-21/h12-14,16,21-22H,5-11H2,1-4H3
InChIKeyOSAXTPCZBXLUPQ-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.18
Rot. Bonds1

About 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one

3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one (PubChem CID 163063397) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one.

Molecular Properties

Compound Name3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
PubChem CID163063397
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
SMILESCC1C(O)CC(=O)C2(C)CCC3C4C(C)(CO)CCC4(C)CC132
InChIInChI=1S/C20H32O3/c1-12-14(22)9-15(23)19(4)6-5-13-16-17(2,10-20(12,13)19)7-8-18(16,3)11-21/h12-14,16,21-22H,5-11H2,1-4H3
InChIKeyOSAXTPCZBXLUPQ-UHFFFAOYSA-N
XLogP3.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one with MolForge

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Related Compounds

(1R,2R,3R,5R,6R,9S,10S,11S,14R)-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecane-3,5-diol
CID 139591231
3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
CID 163109752
11,14-bis(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
CID 162814836
(1S,2S,6R,9S,10R,11S,13R,14R)-13-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
CID 146683583
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827
(2R,3R,6R,9S,14R)-3-hydroxy-2,6,9,11,11,14-hexamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
CID 10236671
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
(1S,4R,7R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 98550073
(1R,5R,9R,11S)-5-hydroxy-11-(hydroxymethyl)-11-methyl-4,8-dimethylidenebicyclo[7.2.0]undecan-3-one
CID 162929007
(5R,9S,11S)-5-hydroxy-11-(hydroxymethyl)-11-methyl-4,8-dimethylidenebicyclo[7.2.0]undecan-3-one
CID 162929008
terephthalic acid;bis(1,7,7-trimethylbicyclo[2.2.1]heptan-2-one)
CID 158933619
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The IUPAC name of 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one (CID 163063397) is 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one.
What is the SMILES notation for 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The canonical SMILES for 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one is CC1C(O)CC(=O)C2(C)CCC3C4C(C)(CO)CCC4(C)CC132.
What is the InChIKey of 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The InChIKey is OSAXTPCZBXLUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-12-14(22)9-15(23)19(4)6-5-13-16-17(2,10-20(12,13)19)7-8-18(16,3)11-21/h12-14,16,21-22H,5-11H2,1-4H3.
What are the key properties of 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one has a molecular weight of 320.47 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one is sourced from PubChem (CID 163063397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).