3-hexan-3-yloxiran-2-ol

C8H16O2 — CID 22168334

IUPAC3-hexan-3-yloxiran-2-ol
SMILESCCCC(CC)C1OC1O
InChIInChI=1S/C8H16O2/c1-3-5-6(4-2)7-8(9)10-7/h6-9H,3-5H2,1-2H3
InChIKeyZNJYIEOKIIUGTF-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.53
Rot. Bonds4

About 3-hexan-3-yloxiran-2-ol

3-hexan-3-yloxiran-2-ol (PubChem CID 22168334) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-hexan-3-yloxiran-2-ol.

Molecular Properties

Compound Name3-hexan-3-yloxiran-2-ol
PubChem CID22168334
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-hexan-3-yloxiran-2-ol
SMILESCCCC(CC)C1OC1O
InChIInChI=1S/C8H16O2/c1-3-5-6(4-2)7-8(9)10-7/h6-9H,3-5H2,1-2H3
InChIKeyZNJYIEOKIIUGTF-UHFFFAOYSA-N
XLogP1.53
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.53
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

(2S,3R,4S,5R)-2-hexan-3-yloxane-3,4,5-triol
CID 70483403
(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol
CID 172695707
2-methyl-3-(6-methylheptan-3-yl)oxirane
CID 90735905
2-decan-4-yl-3-methyloxirane
CID 88790238
(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
CID 138717575
4-hexan-3-yloxane
CID 118974929
(2S,3R,4S,5R)-2-nonadecan-3-yloxane-3,4,5-triol
CID 70483177
6-butan-2-yl-3,4,5-trimethyloxan-2-ol
CID 159707084
(2S,7R)-7-hexan-3-yl-2-pentan-3-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527310
2-pentan-3-yl-3-propan-2-yloxirane
CID 22934396
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
2-heptan-4-yl-1,3-dioxolane
CID 57255481

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yloxiran-2-ol?
The IUPAC name of 3-hexan-3-yloxiran-2-ol (CID 22168334) is 3-hexan-3-yloxiran-2-ol.
What is the SMILES notation for 3-hexan-3-yloxiran-2-ol?
The canonical SMILES for 3-hexan-3-yloxiran-2-ol is CCCC(CC)C1OC1O.
What is the InChIKey of 3-hexan-3-yloxiran-2-ol?
The InChIKey is ZNJYIEOKIIUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-6(4-2)7-8(9)10-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-hexan-3-yloxiran-2-ol?
3-hexan-3-yloxiran-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yloxiran-2-ol is sourced from PubChem (CID 22168334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).