1-(3-tert-butylcyclohexyl)oxybutan-2-ol

C14H28O2 — CID 19774064

IUPAC1-(3-tert-butylcyclohexyl)oxybutan-2-ol
SMILESCCC(O)COC1CCCC(C(C)(C)C)C1
InChIInChI=1S/C14H28O2/c1-5-12(15)10-16-13-8-6-7-11(9-13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyBJMIKVYXSZRFHH-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-tert-butylcyclohexyl)oxybutan-2-ol

1-(3-tert-butylcyclohexyl)oxybutan-2-ol (PubChem CID 19774064) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(3-tert-butylcyclohexyl)oxybutan-2-ol.

Molecular Properties

Compound Name1-(3-tert-butylcyclohexyl)oxybutan-2-ol
PubChem CID19774064
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(3-tert-butylcyclohexyl)oxybutan-2-ol
SMILESCCC(O)COC1CCCC(C(C)(C)C)C1
InChIInChI=1S/C14H28O2/c1-5-12(15)10-16-13-8-6-7-11(9-13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyBJMIKVYXSZRFHH-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 1-(3-tert-butylcyclohexyl)oxybutan-2-ol?
The IUPAC name of 1-(3-tert-butylcyclohexyl)oxybutan-2-ol (CID 19774064) is 1-(3-tert-butylcyclohexyl)oxybutan-2-ol.
What is the SMILES notation for 1-(3-tert-butylcyclohexyl)oxybutan-2-ol?
The canonical SMILES for 1-(3-tert-butylcyclohexyl)oxybutan-2-ol is CCC(O)COC1CCCC(C(C)(C)C)C1.
What is the InChIKey of 1-(3-tert-butylcyclohexyl)oxybutan-2-ol?
The InChIKey is BJMIKVYXSZRFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-12(15)10-16-13-8-6-7-11(9-13)14(2,3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-(3-tert-butylcyclohexyl)oxybutan-2-ol?
1-(3-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 1-(3-tert-butylcyclohexyl)oxybutan-2-ol is sourced from PubChem (CID 19774064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).