(3-heptyloxiran-2-yl)methanol

C10H20O2 — CID 10197900

IUPAC(3-heptyloxiran-2-yl)methanol
SMILESCCCCCCCC1OC1CO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,2-8H2,1H3
InChIKeyMZPZDPXPQAQGJD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds7

About (3-heptyloxiran-2-yl)methanol

(3-heptyloxiran-2-yl)methanol (PubChem CID 10197900) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3-heptyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-heptyloxiran-2-yl)methanol
PubChem CID10197900
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3-heptyloxiran-2-yl)methanol
SMILESCCCCCCCC1OC1CO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,2-8H2,1H3
InChIKeyMZPZDPXPQAQGJD-UHFFFAOYSA-N
XLogP2.11
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-heptyloxiran-2-yl)methanol?
The IUPAC name of (3-heptyloxiran-2-yl)methanol (CID 10197900) is (3-heptyloxiran-2-yl)methanol.
What is the SMILES notation for (3-heptyloxiran-2-yl)methanol?
The canonical SMILES for (3-heptyloxiran-2-yl)methanol is CCCCCCCC1OC1CO.
What is the InChIKey of (3-heptyloxiran-2-yl)methanol?
The InChIKey is MZPZDPXPQAQGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,2-8H2,1H3.
What are the key properties of (3-heptyloxiran-2-yl)methanol?
(3-heptyloxiran-2-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-heptyloxiran-2-yl)methanol is sourced from PubChem (CID 10197900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).