1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol

C10H18O2 — CID 174799868

IUPAC1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
SMILESCCCC(O)C1CCCC2OC21
InChIInChI=1S/C10H18O2/c1-2-4-8(11)7-5-3-6-9-10(7)12-9/h7-11H,2-6H2,1H3
InChIKeyQTIYSZKGWZTVDD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.71
Rot. Bonds3

About 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol

1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol (PubChem CID 174799868) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
PubChem CID174799868
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
SMILESCCCC(O)C1CCCC2OC21
InChIInChI=1S/C10H18O2/c1-2-4-8(11)7-5-3-6-9-10(7)12-9/h7-11H,2-6H2,1H3
InChIKeyQTIYSZKGWZTVDD-UHFFFAOYSA-N
XLogP1.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 23443060
1-(2,6-dimethylcyclohexyl)butan-1-ol
CID 83051760
1-[(1R,2R)-2-methylcyclopentyl]pentan-1-ol
CID 102037625
(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol
CID 10035353
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
1-(2-methylcyclopentyl)heptan-1-ol
CID 15118791
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 89065827

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol?
The IUPAC name of 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol (CID 174799868) is 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol?
The canonical SMILES for 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol is CCCC(O)C1CCCC2OC21.
What is the InChIKey of 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol?
The InChIKey is QTIYSZKGWZTVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-4-8(11)7-5-3-6-9-10(7)12-9/h7-11H,2-6H2,1H3.
What are the key properties of 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol?
1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol is sourced from PubChem (CID 174799868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).