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

C14H28O2 — CID 139090019

IUPAC1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol
SMILESCCC[C@]1(OC)CC[C@@](O)(C(C)(C)C)CC1
InChIInChI=1S/C14H28O2/c1-6-7-13(16-5)8-10-14(15,11-9-13)12(2,3)4/h15H,6-11H2,1-5H3/t13-,14-
InChIKeyALBDIQZJMDUQJC-HDJSIYSDSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds3

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

1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol (PubChem CID 139090019) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol
PubChem CID139090019
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol
SMILESCCC[C@]1(OC)CC[C@@](O)(C(C)(C)C)CC1
InChIInChI=1S/C14H28O2/c1-6-7-13(16-5)8-10-14(15,11-9-13)12(2,3)4/h15H,6-11H2,1-5H3/t13-,14-
InChIKeyALBDIQZJMDUQJC-HDJSIYSDSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol?
The IUPAC name of 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol (CID 139090019) is 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol is CCC[C@]1(OC)CC[C@@](O)(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol?
The InChIKey is ALBDIQZJMDUQJC-HDJSIYSDSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-13(16-5)8-10-14(15,11-9-13)12(2,3)4/h15H,6-11H2,1-5H3/t13-,14-.
What are the key properties of 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol?
1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methoxy-4-propylcyclohexan-1-ol is sourced from PubChem (CID 139090019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).