1-(3-propyloxiran-2-yl)pentan-2-ol

C10H20O2 — CID 174645747

IUPAC1-(3-propyloxiran-2-yl)pentan-2-ol
SMILESCCCC(O)CC1OC1CCC
InChIInChI=1S/C10H20O2/c1-3-5-8(11)7-10-9(12-10)6-4-2/h8-11H,3-7H2,1-2H3
InChIKeyCTACFAHSZCRKNE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds6

About 1-(3-propyloxiran-2-yl)pentan-2-ol

1-(3-propyloxiran-2-yl)pentan-2-ol (PubChem CID 174645747) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(3-propyloxiran-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(3-propyloxiran-2-yl)pentan-2-ol
PubChem CID174645747
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(3-propyloxiran-2-yl)pentan-2-ol
SMILESCCCC(O)CC1OC1CCC
InChIInChI=1S/C10H20O2/c1-3-5-8(11)7-10-9(12-10)6-4-2/h8-11H,3-7H2,1-2H3
InChIKeyCTACFAHSZCRKNE-UHFFFAOYSA-N
XLogP2.11
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.11
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

8-[3-[(2R)-2-hydroxyoctyl]oxiran-2-yl]octanoic acid
CID 88778431
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
(2S,3R)-2-(bromomethyl)-3-propyloxirane
CID 11073978
2-(chloromethyl)-3-propyloxirane
CID 18324215
3-(3-propyloxiran-2-yl)propanal
CID 86201018
1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
CID 130905910
(1R)-2-methyl-1-[(2R,3R)-3-propyloxiran-2-yl]propan-1-ol
CID 10866612
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
CID 57409905
hexan-3-ol
CID 12178
acetic acid;[(2S,3S)-3-propyloxiran-2-yl]methanol
CID 71423453
trimethyl-[(3-propyloxiran-2-yl)methyl]azanium
CID 22750416
(2S,3R)-2-(methylsulfanylmethyl)-3-propyloxirane
CID 15204404

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyloxiran-2-yl)pentan-2-ol?
The IUPAC name of 1-(3-propyloxiran-2-yl)pentan-2-ol (CID 174645747) is 1-(3-propyloxiran-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(3-propyloxiran-2-yl)pentan-2-ol?
The canonical SMILES for 1-(3-propyloxiran-2-yl)pentan-2-ol is CCCC(O)CC1OC1CCC.
What is the InChIKey of 1-(3-propyloxiran-2-yl)pentan-2-ol?
The InChIKey is CTACFAHSZCRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-8(11)7-10-9(12-10)6-4-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(3-propyloxiran-2-yl)pentan-2-ol?
1-(3-propyloxiran-2-yl)pentan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyloxiran-2-yl)pentan-2-ol is sourced from PubChem (CID 174645747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).