4-tert-butylcyclohexen-1-ol

C10H18O — CID 12611406

IUPAC4-tert-butylcyclohexen-1-ol
SMILESCC(C)(C)C1CC=C(O)CC1
InChIInChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8,11H,4-5,7H2,1-3H3
InChIKeyHBAQDOUFKXLJKV-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.27
Rot. Bonds

About 4-tert-butylcyclohexen-1-ol

4-tert-butylcyclohexen-1-ol (PubChem CID 12611406) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-tert-butylcyclohexen-1-ol.

Molecular Properties

Compound Name4-tert-butylcyclohexen-1-ol
PubChem CID12611406
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-tert-butylcyclohexen-1-ol
SMILESCC(C)(C)C1CC=C(O)CC1
InChIInChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8,11H,4-5,7H2,1-3H3
InChIKeyHBAQDOUFKXLJKV-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylcyclohexen-1-ol?
The IUPAC name of 4-tert-butylcyclohexen-1-ol (CID 12611406) is 4-tert-butylcyclohexen-1-ol.
What is the SMILES notation for 4-tert-butylcyclohexen-1-ol?
The canonical SMILES for 4-tert-butylcyclohexen-1-ol is CC(C)(C)C1CC=C(O)CC1.
What is the InChIKey of 4-tert-butylcyclohexen-1-ol?
The InChIKey is HBAQDOUFKXLJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 4-tert-butylcyclohexen-1-ol?
4-tert-butylcyclohexen-1-ol has a molecular weight of 154.25 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexen-1-ol is sourced from PubChem (CID 12611406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).