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

C19H30O3 — CID 163109752

IUPAC3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
SMILESCC1C(O)CC(=O)C2(C)CCC3C4C(CCC4(C)CO)CC132
InChIInChI=1S/C19H30O3/c1-11-14(21)8-15(22)18(3)7-5-13-16-12(9-19(11,13)18)4-6-17(16,2)10-20/h11-14,16,20-21H,4-10H2,1-3H3
InChIKeyINFSJTQGRIEHHW-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.79
Rot. Bonds1

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

3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one (PubChem CID 163109752) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one.

Molecular Properties

Compound Name3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
PubChem CID163109752
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
SMILESCC1C(O)CC(=O)C2(C)CCC3C4C(CCC4(C)CO)CC132
InChIInChI=1S/C19H30O3/c1-11-14(21)8-15(22)18(3)7-5-13-16-12(9-19(11,13)18)4-6-17(16,2)10-20/h11-14,16,20-21H,4-10H2,1-3H3
InChIKeyINFSJTQGRIEHHW-UHFFFAOYSA-N
XLogP2.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
CID 163063397
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827
(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
(1S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 129418603
(1R,1aS,4S,4aR,6R,7R,7aS,7bR)-4,6-dihydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-3-one
CID 122211383
(7R,11R)-11-hydroxy-8-methoxy-4-methyl-9-oxatricyclo[5.2.2.04,8]undecan-5-one
CID 177461481
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
11,14-bis(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
CID 162814836
(1S,4R,7R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 98550073
(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one
CID 130834339
methyl 3-[(1R,4S,7R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]propanoate
CID 124528585
(1R,4R,7R)-7-(diphenylphosphanylmethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 102062769

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The IUPAC name of 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one (CID 163109752) is 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one.
What is the SMILES notation for 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The canonical SMILES for 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one is CC1C(O)CC(=O)C2(C)CCC3C4C(CCC4(C)CO)CC132.
What is the InChIKey of 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
The InChIKey is INFSJTQGRIEHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-11-14(21)8-15(22)18(3)7-5-13-16-12(9-19(11,13)18)4-6-17(16,2)10-20/h11-14,16,20-21H,4-10H2,1-3H3.
What are the key properties of 3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one?
3-hydroxy-11-(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one has a molecular weight of 306.45 g/mol, XLogP of 2.79, 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-trimethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one is sourced from PubChem (CID 163109752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).