7-(oxiran-2-yl)octan-3-ol

C10H20O2 — CID 174885926

IUPAC7-(oxiran-2-yl)octan-3-ol
SMILESCCC(O)CCCC(C)C1CO1
InChIInChI=1S/C10H20O2/c1-3-9(11)6-4-5-8(2)10-7-12-10/h8-11H,3-7H2,1-2H3
InChIKeyHUGIMHOJIFRKTI-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds6

About 7-(oxiran-2-yl)octan-3-ol

7-(oxiran-2-yl)octan-3-ol (PubChem CID 174885926) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 7-(oxiran-2-yl)octan-3-ol.

Molecular Properties

Compound Name7-(oxiran-2-yl)octan-3-ol
PubChem CID174885926
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name7-(oxiran-2-yl)octan-3-ol
SMILESCCC(O)CCCC(C)C1CO1
InChIInChI=1S/C10H20O2/c1-3-9(11)6-4-5-8(2)10-7-12-10/h8-11H,3-7H2,1-2H3
InChIKeyHUGIMHOJIFRKTI-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 7-(oxiran-2-yl)octan-3-ol?
The IUPAC name of 7-(oxiran-2-yl)octan-3-ol (CID 174885926) is 7-(oxiran-2-yl)octan-3-ol.
What is the SMILES notation for 7-(oxiran-2-yl)octan-3-ol?
The canonical SMILES for 7-(oxiran-2-yl)octan-3-ol is CCC(O)CCCC(C)C1CO1.
What is the InChIKey of 7-(oxiran-2-yl)octan-3-ol?
The InChIKey is HUGIMHOJIFRKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-9(11)6-4-5-8(2)10-7-12-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 7-(oxiran-2-yl)octan-3-ol?
7-(oxiran-2-yl)octan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxiran-2-yl)octan-3-ol is sourced from PubChem (CID 174885926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).