4-(1-tert-butylcyclohexyl)oxybutan-2-ol

C14H28O2 — CID 70270488

IUPAC4-(1-tert-butylcyclohexyl)oxybutan-2-ol
SMILESCC(O)CCOC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C14H28O2/c1-12(15)8-11-16-14(13(2,3)4)9-6-5-7-10-14/h12,15H,5-11H2,1-4H3
InChIKeyNZFJLZHTEVSJHJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds4

About 4-(1-tert-butylcyclohexyl)oxybutan-2-ol

4-(1-tert-butylcyclohexyl)oxybutan-2-ol (PubChem CID 70270488) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(1-tert-butylcyclohexyl)oxybutan-2-ol.

Molecular Properties

Compound Name4-(1-tert-butylcyclohexyl)oxybutan-2-ol
PubChem CID70270488
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-(1-tert-butylcyclohexyl)oxybutan-2-ol
SMILESCC(O)CCOC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C14H28O2/c1-12(15)8-11-16-14(13(2,3)4)9-6-5-7-10-14/h12,15H,5-11H2,1-4H3
InChIKeyNZFJLZHTEVSJHJ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylcyclohexyl)oxybutan-2-ol?
The IUPAC name of 4-(1-tert-butylcyclohexyl)oxybutan-2-ol (CID 70270488) is 4-(1-tert-butylcyclohexyl)oxybutan-2-ol.
What is the SMILES notation for 4-(1-tert-butylcyclohexyl)oxybutan-2-ol?
The canonical SMILES for 4-(1-tert-butylcyclohexyl)oxybutan-2-ol is CC(O)CCOC1(C(C)(C)C)CCCCC1.
What is the InChIKey of 4-(1-tert-butylcyclohexyl)oxybutan-2-ol?
The InChIKey is NZFJLZHTEVSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-12(15)8-11-16-14(13(2,3)4)9-6-5-7-10-14/h12,15H,5-11H2,1-4H3.
What are the key properties of 4-(1-tert-butylcyclohexyl)oxybutan-2-ol?
4-(1-tert-butylcyclohexyl)oxybutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylcyclohexyl)oxybutan-2-ol is sourced from PubChem (CID 70270488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).