5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one

C15H22O2 — CID 76525506

IUPAC5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one
SMILESCC1=CC(=O)C2(C)C1CC1CC(C)(CO)CC12
InChIInChI=1S/C15H22O2/c1-9-4-13(17)15(3)11(9)5-10-6-14(2,8-16)7-12(10)15/h4,10-12,16H,5-8H2,1-3H3
InChIKeyUVSPCYVKHYHCBU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds1

About 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one

5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one (PubChem CID 76525506) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one
PubChem CID76525506
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one
SMILESCC1=CC(=O)C2(C)C1CC1CC(C)(CO)CC12
InChIInChI=1S/C15H22O2/c1-9-4-13(17)15(3)11(9)5-10-6-14(2,8-16)7-12(10)15/h4,10-12,16H,5-8H2,1-3H3
InChIKeyUVSPCYVKHYHCBU-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-Hydroxysolavetivone
CID 25200393
Conidiogenone C
CID 25194901
(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
CID 73810597
Oxysolavetivone
CID 74427721
Chondrosterin A
CID 56962379
Rhodocorane K
CID 156017766
(3aS,6aR,7aS)-4-(hydroxymethyl)-3,3,7a-trimethyl-1,2,3a,6,6a,7-hexahydrocyclopenta[a]pentalen-5-one
CID 24862283
(1R,3aS,8aR)-6-(hydroxymethyl)-8a-methyl-1-propan-2-yl-1,2,3,3a,7,8-hexahydroazulen-4-one
CID 60154792
12-Hydroxysilphinene-15-oic acid
CID 44559172
19alpha-hydroxyconidiogenone C
CID 156580953
(6R)-16,17,21,21-O-Tetrahydroophiobolin G
CID 156581001
12-Hydroxy-2-oxo-11-epi-hinesol
CID 168010276

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one?
The IUPAC name of 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one (CID 76525506) is 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one?
The canonical SMILES for 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one is CC1=CC(=O)C2(C)C1CC1CC(C)(CO)CC12.
What is the InChIKey of 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one?
The InChIKey is UVSPCYVKHYHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-4-13(17)15(3)11(9)5-10-6-14(2,8-16)7-12(10)15/h4,10-12,16H,5-8H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one?
5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one has a molecular weight of 234.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one is sourced from PubChem (CID 76525506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).