2-tert-butylcyclohexen-1-ol

C10H18O — CID 71405839

IUPAC2-tert-butylcyclohexen-1-ol
SMILESCC(C)(C)C1=C(O)CCCC1
InChIInChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h11H,4-7H2,1-3H3
InChIKeyVQGRUUOJWYBCGM-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.42
Rot. Bonds

About 2-tert-butylcyclohexen-1-ol

2-tert-butylcyclohexen-1-ol (PubChem CID 71405839) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-tert-butylcyclohexen-1-ol.

Molecular Properties

Compound Name2-tert-butylcyclohexen-1-ol
PubChem CID71405839
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-tert-butylcyclohexen-1-ol
SMILESCC(C)(C)C1=C(O)CCCC1
InChIInChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h11H,4-7H2,1-3H3
InChIKeyVQGRUUOJWYBCGM-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclohexen-1-ol?
The IUPAC name of 2-tert-butylcyclohexen-1-ol (CID 71405839) is 2-tert-butylcyclohexen-1-ol.
What is the SMILES notation for 2-tert-butylcyclohexen-1-ol?
The canonical SMILES for 2-tert-butylcyclohexen-1-ol is CC(C)(C)C1=C(O)CCCC1.
What is the InChIKey of 2-tert-butylcyclohexen-1-ol?
The InChIKey is VQGRUUOJWYBCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h11H,4-7H2,1-3H3.
What are the key properties of 2-tert-butylcyclohexen-1-ol?
2-tert-butylcyclohexen-1-ol has a molecular weight of 154.25 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclohexen-1-ol is sourced from PubChem (CID 71405839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).