4-(2-tert-butylcyclohexyl)oxybutan-2-ol

C14H28O2 — CID 67175179

IUPAC4-(2-tert-butylcyclohexyl)oxybutan-2-ol
SMILESCC(O)CCOC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(15)9-10-16-13-8-6-5-7-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyCJLAXGILKMJGHR-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds4

About 4-(2-tert-butylcyclohexyl)oxybutan-2-ol

4-(2-tert-butylcyclohexyl)oxybutan-2-ol (PubChem CID 67175179) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2-tert-butylcyclohexyl)oxybutan-2-ol.

Molecular Properties

Compound Name4-(2-tert-butylcyclohexyl)oxybutan-2-ol
PubChem CID67175179
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-(2-tert-butylcyclohexyl)oxybutan-2-ol
SMILESCC(O)CCOC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(15)9-10-16-13-8-6-5-7-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyCJLAXGILKMJGHR-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylcyclohexyl)oxybutan-2-ol?
The IUPAC name of 4-(2-tert-butylcyclohexyl)oxybutan-2-ol (CID 67175179) is 4-(2-tert-butylcyclohexyl)oxybutan-2-ol.
What is the SMILES notation for 4-(2-tert-butylcyclohexyl)oxybutan-2-ol?
The canonical SMILES for 4-(2-tert-butylcyclohexyl)oxybutan-2-ol is CC(O)CCOC1CCCCC1C(C)(C)C.
What is the InChIKey of 4-(2-tert-butylcyclohexyl)oxybutan-2-ol?
The InChIKey is CJLAXGILKMJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(15)9-10-16-13-8-6-5-7-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 4-(2-tert-butylcyclohexyl)oxybutan-2-ol?
4-(2-tert-butylcyclohexyl)oxybutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylcyclohexyl)oxybutan-2-ol is sourced from PubChem (CID 67175179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).