(1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol

C12H18O — CID 10678898

IUPAC(1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol
SMILESCC1=C[C@@H](O)[C@@H]2CC[C@H]3CCC[C@]132
InChIInChI=1S/C12H18O/c1-8-7-11(13)10-5-4-9-3-2-6-12(8,9)10/h7,9-11,13H,2-6H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyIMMXKPMKHDIRQF-KXNHARMFSA-N
MW178.28 g/mol
LogP2.50
Rot. Bonds

About (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol

(1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol (PubChem CID 10678898) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol.

Molecular Properties

Compound Name(1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol
PubChem CID10678898
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol
SMILESCC1=C[C@@H](O)[C@@H]2CC[C@H]3CCC[C@]132
InChIInChI=1S/C12H18O/c1-8-7-11(13)10-5-4-9-3-2-6-12(8,9)10/h7,9-11,13H,2-6H2,1H3/t9-,10+,11-,12+/m1/s1
InChIKeyIMMXKPMKHDIRQF-KXNHARMFSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The IUPAC name of (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol (CID 10678898) is (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol.
What is the SMILES notation for (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The canonical SMILES for (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol is CC1=C[C@@H](O)[C@@H]2CC[C@H]3CCC[C@]132.
What is the InChIKey of (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
The InChIKey is IMMXKPMKHDIRQF-KXNHARMFSA-N. The full InChI is InChI=1S/C12H18O/c1-8-7-11(13)10-5-4-9-3-2-6-12(8,9)10/h7,9-11,13H,2-6H2,1H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol?
(1S,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-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,4R,5R,8R)-2-methyltricyclo[6.3.0.01,5]undec-2-en-4-ol is sourced from PubChem (CID 10678898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).