4-tert-butyl-1-propylcyclohexan-1-ol

C13H26O — CID 12594034

IUPAC4-tert-butyl-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-8-13(14)9-6-11(7-10-13)12(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyJHIKOHYXWAIETA-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.75
Rot. Bonds2

About 4-tert-butyl-1-propylcyclohexan-1-ol

4-tert-butyl-1-propylcyclohexan-1-ol (PubChem CID 12594034) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-tert-butyl-1-propylcyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-propylcyclohexan-1-ol
PubChem CID12594034
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-tert-butyl-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-8-13(14)9-6-11(7-10-13)12(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyJHIKOHYXWAIETA-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-propylcyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-propylcyclohexan-1-ol (CID 12594034) is 4-tert-butyl-1-propylcyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-propylcyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-propylcyclohexan-1-ol is CCCC1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-propylcyclohexan-1-ol?
The InChIKey is JHIKOHYXWAIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-8-13(14)9-6-11(7-10-13)12(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-propylcyclohexan-1-ol?
4-tert-butyl-1-propylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-propylcyclohexan-1-ol is sourced from PubChem (CID 12594034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).