(6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one

C15H22O2 — CID 101258652

IUPAC(6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one
SMILESCC1=C2CC[C@@]2(C)C2C[C@](C)(CO)CC2C1=O
InChIInChI=1S/C15H22O2/c1-9-11-4-5-15(11,3)12-7-14(2,8-16)6-10(12)13(9)17/h10,12,16H,4-8H2,1-3H3/t10?,12?,14-,15-/m1/s1
InChIKeyHPOGLDHHCCWZQO-CKCNXQLGSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds1

About (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one

(6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one (PubChem CID 101258652) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one.

Molecular Properties

Compound Name(6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one
PubChem CID101258652
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one
SMILESCC1=C2CC[C@@]2(C)C2C[C@](C)(CO)CC2C1=O
InChIInChI=1S/C15H22O2/c1-9-11-4-5-15(11,3)12-7-14(2,8-16)6-10(12)13(9)17/h10,12,16H,4-8H2,1-3H3/t10?,12?,14-,15-/m1/s1
InChIKeyHPOGLDHHCCWZQO-CKCNXQLGSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-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

Rhodocorane K
CID 156017766
Phomophyllin C
CID 139589999
(1R,1aR,7R,7aS,7bR)-1-(hydroxymethyl)-1,4,7-trimethyl-2,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-3-one
CID 10776070
Plorantinone B
CID 156583142
3-(3-Hydroxyprop-1-en-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 162872484
Violascensol
CID 10681212
Illudolone A
CID 14565881
Plorantinone D
CID 15834289
(1R,4S,5R)-4-(3-hydroxyprop-1-en-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-10-one
CID 16127689
Spiro(4.5)dec-6-en-8-one, 2-(1-(hydroxymethyl)ethenyl)-6,10-dimethyl-, (2R,5S,10R)-
CID 92006712
Epiplorantinone B
CID 100927703
Tsugicoline B
CID 101348080

Frequently Asked Questions

What is the IUPAC name of (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
The IUPAC name of (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one (CID 101258652) is (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one.
What is the SMILES notation for (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
The canonical SMILES for (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one is CC1=C2CC[C@@]2(C)C2C[C@](C)(CO)CC2C1=O.
What is the InChIKey of (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
The InChIKey is HPOGLDHHCCWZQO-CKCNXQLGSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-11-4-5-15(11,3)12-7-14(2,8-16)6-10(12)13(9)17/h10,12,16H,4-8H2,1-3H3/t10?,12?,14-,15-/m1/s1.
What are the key properties of (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one?
(6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7bS)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one is sourced from PubChem (CID 101258652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).