(1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol

C12H18O — CID 130898811

IUPAC(1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol
SMILESC[C@@]12C=C[C@@H](C1)[C@H]1CCC[C@@H]2[C@H]1O
InChIInChI=1S/C12H18O/c1-12-6-5-8(7-12)9-3-2-4-10(12)11(9)13/h5-6,8-11,13H,2-4,7H2,1H3/t8-,9+,10+,11-,12+/m0/s1
InChIKeyOUGPKAUCVFIIPR-MTVMDMGHSA-N
MW178.28 g/mol
LogP2.36
Rot. Bonds

About (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol

(1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol (PubChem CID 130898811) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol.

Molecular Properties

Compound Name(1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol
PubChem CID130898811
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol
SMILESC[C@@]12C=C[C@@H](C1)[C@H]1CCC[C@@H]2[C@H]1O
InChIInChI=1S/C12H18O/c1-12-6-5-8(7-12)9-3-2-4-10(12)11(9)13/h5-6,8-11,13H,2-4,7H2,1H3/t8-,9+,10+,11-,12+/m0/s1
InChIKeyOUGPKAUCVFIIPR-MTVMDMGHSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol?
The IUPAC name of (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol (CID 130898811) is (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol.
What is the SMILES notation for (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol?
The canonical SMILES for (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol is C[C@@]12C=C[C@@H](C1)[C@H]1CCC[C@@H]2[C@H]1O.
What is the InChIKey of (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol?
The InChIKey is OUGPKAUCVFIIPR-MTVMDMGHSA-N. The full InChI is InChI=1S/C12H18O/c1-12-6-5-8(7-12)9-3-2-4-10(12)11(9)13/h5-6,8-11,13H,2-4,7H2,1H3/t8-,9+,10+,11-,12+/m0/s1.
What are the key properties of (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol?
(1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol has a molecular weight of 178.28 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R,10S)-2-methyltricyclo[4.3.1.12,5]undec-3-en-10-ol is sourced from PubChem (CID 130898811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).