(1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol

C12H18O — CID 11830006

IUPAC(1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol
SMILESC[C@H]1CC=C2C(O)C[C@@H]3CC[C@@]21C3
InChIInChI=1S/C12H18O/c1-8-2-3-10-11(13)6-9-4-5-12(8,10)7-9/h3,8-9,11,13H,2,4-7H2,1H3/t8-,9-,11?,12-/m0/s1
InChIKeyJLHFPGBEOLWETR-LVMLBAMGSA-N
MW178.28 g/mol
LogP2.50
Rot. Bonds

About (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol

(1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol (PubChem CID 11830006) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol.

Molecular Properties

Compound Name(1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol
PubChem CID11830006
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol
SMILESC[C@H]1CC=C2C(O)C[C@@H]3CC[C@@]21C3
InChIInChI=1S/C12H18O/c1-8-2-3-10-11(13)6-9-4-5-12(8,10)7-9/h3,8-9,11,13H,2,4-7H2,1H3/t8-,9-,11?,12-/m0/s1
InChIKeyJLHFPGBEOLWETR-LVMLBAMGSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol
CID 73120790
1-[(2R,5R,7R,8S,8aR)-5,7-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]ethanone
CID 11230153
7-hydroxy-1-methylspiro[3.5]nonan-3-one
CID 163701413
(8S,9R,10S,13R,14S)-10-(hydroxymethyl)-6,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-ol
CID 57284963
7,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-6-en-8-ol
CID 162899953
bicyclo[2.2.2]octane-2,2,6-triol
CID 141006652
10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4,17-triol
CID 621802
(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol
CID 10899526
(2R,3R,4aR,4bS,7S,8aS)-7-ethenyl-1,1,4b,7-tetramethyl-3,4,4a,5,6,8,8a,9-octahydro-2H-phenanthrene-2,3-diol
CID 177472003
(8R,9S,10R,13S,14S)-4,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 90885986
trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol
CID 102278367
CID 18798538
CID 18798538

Frequently Asked Questions

What is the IUPAC name of (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol?
The IUPAC name of (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol (CID 11830006) is (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol.
What is the SMILES notation for (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol?
The canonical SMILES for (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol is C[C@H]1CC=C2C(O)C[C@@H]3CC[C@@]21C3.
What is the InChIKey of (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol?
The InChIKey is JLHFPGBEOLWETR-LVMLBAMGSA-N. The full InChI is InChI=1S/C12H18O/c1-8-2-3-10-11(13)6-9-4-5-12(8,10)7-9/h3,8-9,11,13H,2,4-7H2,1H3/t8-,9-,11?,12-/m0/s1.
What are the key properties of (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol?
(1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol has a molecular weight of 178.28 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,8R)-2-methyltricyclo[6.2.1.01,5]undec-4-en-6-ol is sourced from PubChem (CID 11830006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).