(1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol

C20H34O2 — CID 162870697

IUPAC(1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol
SMILESC/C1=C\CC[C@](C)(O)[C@@H]2C[C@H](/C=C(/C(C)C)CC1)[C@](C)(O)C2
InChIInChI=1S/C20H34O2/c1-14(2)16-9-8-15(3)7-6-10-19(4,21)18-12-17(11-16)20(5,22)13-18/h7,11,14,17-18,21-22H,6,8-10,12-13H2,1-5H3/b15-7+,16-11+/t17-,18+,19-,20+/m0/s1
InChIKeyKCJQGLUFFPAFEG-MVYWCGRISA-N
MW306.49 g/mol
LogP4.62
Rot. Bonds1

About (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol

(1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol (PubChem CID 162870697) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol.

Molecular Properties

Compound Name(1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol
PubChem CID162870697
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol
SMILESC/C1=C\CC[C@](C)(O)[C@@H]2C[C@H](/C=C(/C(C)C)CC1)[C@](C)(O)C2
InChIInChI=1S/C20H34O2/c1-14(2)16-9-8-15(3)7-6-10-19(4,21)18-12-17(11-16)20(5,22)13-18/h7,11,14,17-18,21-22H,6,8-10,12-13H2,1-5H3/b15-7+,16-11+/t17-,18+,19-,20+/m0/s1
InChIKeyKCJQGLUFFPAFEG-MVYWCGRISA-N
XLogP4.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol with MolForge

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Related Compounds

2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol
CID 162870696
2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-2,5,9-trien-12-ol
CID 163018172
(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
(4Z)-1,5-dimethylcyclooct-4-en-1-ol
CID 14267333
1,4-dimethylcyclooct-4-en-1-ol
CID 68739487
(1S,2E,4S,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 11148775
(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
1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 522445
(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 162957245
(1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 15934381
(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 177482395

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol?
The IUPAC name of (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) is (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol.
What is the SMILES notation for (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol?
The canonical SMILES for (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol is C/C1=C\CC[C@](C)(O)[C@@H]2C[C@H](/C=C(/C(C)C)CC1)[C@](C)(O)C2.
What is the InChIKey of (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol?
The InChIKey is KCJQGLUFFPAFEG-MVYWCGRISA-N. The full InChI is InChI=1S/C20H34O2/c1-14(2)16-9-8-15(3)7-6-10-19(4,21)18-12-17(11-16)20(5,22)13-18/h7,11,14,17-18,21-22H,6,8-10,12-13H2,1-5H3/b15-7+,16-11+/t17-,18+,19-,20+/m0/s1.
What are the key properties of (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol?
(1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol has a molecular weight of 306.49 g/mol, XLogP of 4.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5E,9E,11R,12R)-2,6,12-trimethyl-9-propan-2-ylbicyclo[9.2.1]tetradeca-5,9-diene-2,12-diol is sourced from PubChem (CID 162870697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).