(1R,5R)-5-tert-butylcyclohex-2-en-1-ol

C10H18O — CID 12632659

IUPAC(1R,5R)-5-tert-butylcyclohex-2-en-1-ol
SMILESCC(C)(C)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C10H18O/c1-10(2,3)8-5-4-6-9(11)7-8/h4,6,8-9,11H,5,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyOOEPVZSVTNDRRX-BDAKNGLRSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds

About (1R,5R)-5-tert-butylcyclohex-2-en-1-ol

(1R,5R)-5-tert-butylcyclohex-2-en-1-ol (PubChem CID 12632659) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,5R)-5-tert-butylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-5-tert-butylcyclohex-2-en-1-ol
PubChem CID12632659
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,5R)-5-tert-butylcyclohex-2-en-1-ol
SMILESCC(C)(C)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C10H18O/c1-10(2,3)8-5-4-6-9(11)7-8/h4,6,8-9,11H,5,7H2,1-3H3/t8-,9+/m1/s1
InChIKeyOOEPVZSVTNDRRX-BDAKNGLRSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
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 (1R,5R)-5-tert-butylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5R)-5-tert-butylcyclohex-2-en-1-ol (CID 12632659) is (1R,5R)-5-tert-butylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5R)-5-tert-butylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5R)-5-tert-butylcyclohex-2-en-1-ol is CC(C)(C)[C@@H]1CC=C[C@H](O)C1.
What is the InChIKey of (1R,5R)-5-tert-butylcyclohex-2-en-1-ol?
The InChIKey is OOEPVZSVTNDRRX-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)8-5-4-6-9(11)7-8/h4,6,8-9,11H,5,7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (1R,5R)-5-tert-butylcyclohex-2-en-1-ol?
(1R,5R)-5-tert-butylcyclohex-2-en-1-ol has a molecular weight of 154.25 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 (1R,5R)-5-tert-butylcyclohex-2-en-1-ol is sourced from PubChem (CID 12632659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).