2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol

C20H32O — CID 163018172

IUPAC2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol
SMILESCC1=CCC=C(C)C2CC(C=C(C(C)C)CC1)C(C)(O)C2
InChIInChI=1S/C20H32O/c1-14(2)17-10-9-15(3)7-6-8-16(4)18-12-19(11-17)20(5,21)13-18/h7-8,11,14,18-19,21H,6,9-10,12-13H2,1-5H3
InChIKeyYRIVNEOJXWSNPT-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.42
Rot. Bonds1

About 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol

2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol (PubChem CID 163018172) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol.

Molecular Properties

Compound Name2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol
PubChem CID163018172
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol
SMILESCC1=CCC=C(C)C2CC(C=C(C(C)C)CC1)C(C)(O)C2
InChIInChI=1S/C20H32O/c1-14(2)17-10-9-15(3)7-6-8-16(4)18-12-19(11-17)20(5,21)13-18/h7-8,11,14,18-19,21H,6,9-10,12-13H2,1-5H3
InChIKeyYRIVNEOJXWSNPT-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol with MolForge

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Related Compounds

(1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol
CID 162870697
2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol
CID 162870696
(3S,3aS,12R,12aR)-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,6,7,10,11,12a-octahydrocyclopenta[11]annulene-3,12-diol
CID 162855353
1-[(2Z,5Z,10E)-2,6,10-trimethylcyclododeca-2,5,10-trien-1-yl]ethanone
CID 56843572
(3S,3aR,4E,6S,8E,11Z,12aS)-3,8,12-trimethyl-5-propan-2-yl-2,3a,6,7,10,12a-hexahydro-1H-cyclopenta[11]annulene-3,6-diol
CID 122206510
(1R,3aR,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 162899759
(1S,3aR,8aS)-1,4-dimethyl-7-propan-2-yl-3,3a,6,8a-tetrahydro-2H-azulen-1-ol
CID 10262917
(1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 15934381
(1R,2S)-1-methyl-4-propan-2-ylcyclohex-4-ene-1,2-diol
CID 101145214
(1S,3R,4E,7Z,11R,12S)-3,11-dihydroxy-4,8,12-trimethyl-15-methylidene-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-14-one
CID 162951963
(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol
CID 91746682
(1S,3aS,4R,8aR)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
CID 162975091

Frequently Asked Questions

What is the IUPAC name of 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol?
The IUPAC name of 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol (CID 163018172) is 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol.
What is the SMILES notation for 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol?
The canonical SMILES for 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol is CC1=CCC=C(C)C2CC(C=C(C(C)C)CC1)C(C)(O)C2.
What is the InChIKey of 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol?
The InChIKey is YRIVNEOJXWSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-14(2)17-10-9-15(3)7-6-8-16(4)18-12-19(11-17)20(5,21)13-18/h7-8,11,14,18-19,21H,6,9-10,12-13H2,1-5H3.
What are the key properties of 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol?
2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol has a molecular weight of 288.48 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol is sourced from PubChem (CID 163018172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).