1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol

C10H20O2 — CID 86129641

IUPAC1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
SMILESCC(C)(C)C1(O)CCC1CCO
InChIInChI=1S/C10H20O2/c1-9(2,3)10(12)6-4-8(10)5-7-11/h8,11-12H,4-7H2,1-3H3
InChIKeyFSVAZXNGITUDBY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.56
Rot. Bonds2

About 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol

1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol (PubChem CID 86129641) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
PubChem CID86129641
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
SMILESCC(C)(C)C1(O)CCC1CCO
InChIInChI=1S/C10H20O2/c1-9(2,3)10(12)6-4-8(10)5-7-11/h8,11-12H,4-7H2,1-3H3
InChIKeyFSVAZXNGITUDBY-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butyl-2-methoxycyclobutan-1-ol
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CID 117017387
2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
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(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
CID 53483796
cis-(1R,2R)-2-(2-hydroxyethyl)-1-propan-2-ylcyclopropan-1-ol
CID 131020192
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol?
The IUPAC name of 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol (CID 86129641) is 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol?
The canonical SMILES for 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol is CC(C)(C)C1(O)CCC1CCO.
What is the InChIKey of 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol?
The InChIKey is FSVAZXNGITUDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,3)10(12)6-4-8(10)5-7-11/h8,11-12H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol?
1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol is sourced from PubChem (CID 86129641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).