3-(3-tert-butylcyclohexyl)butan-1-ol

C14H28O — CID 57429419

IUPAC3-(3-tert-butylcyclohexyl)butan-1-ol
SMILESCC(CCO)C1CCCC(C(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-11(8-9-15)12-6-5-7-13(10-12)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyXOLUVZDRTOUNIX-UHFFFAOYSA-N
MW212.38 g/mol
LogP3.86
Rot. Bonds3

About 3-(3-tert-butylcyclohexyl)butan-1-ol

3-(3-tert-butylcyclohexyl)butan-1-ol (PubChem CID 57429419) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-(3-tert-butylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butylcyclohexyl)butan-1-ol
PubChem CID57429419
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-(3-tert-butylcyclohexyl)butan-1-ol
SMILESCC(CCO)C1CCCC(C(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-11(8-9-15)12-6-5-7-13(10-12)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyXOLUVZDRTOUNIX-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylcyclohexyl)butan-1-ol?
The IUPAC name of 3-(3-tert-butylcyclohexyl)butan-1-ol (CID 57429419) is 3-(3-tert-butylcyclohexyl)butan-1-ol.
What is the SMILES notation for 3-(3-tert-butylcyclohexyl)butan-1-ol?
The canonical SMILES for 3-(3-tert-butylcyclohexyl)butan-1-ol is CC(CCO)C1CCCC(C(C)(C)C)C1.
What is the InChIKey of 3-(3-tert-butylcyclohexyl)butan-1-ol?
The InChIKey is XOLUVZDRTOUNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-11(8-9-15)12-6-5-7-13(10-12)14(2,3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-(3-tert-butylcyclohexyl)butan-1-ol?
3-(3-tert-butylcyclohexyl)butan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylcyclohexyl)butan-1-ol is sourced from PubChem (CID 57429419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).