(2-prop-1-enyloxiran-2-yl)methanol

C6H10O2 — CID 74437439

IUPAC(2-prop-1-enyloxiran-2-yl)methanol
SMILESCC=CC1(CO)CO1
InChIInChI=1S/C6H10O2/c1-2-3-6(4-7)5-8-6/h2-3,7H,4-5H2,1H3
InChIKeyUCBQRGKIGCBYAO-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds2

About (2-prop-1-enyloxiran-2-yl)methanol

(2-prop-1-enyloxiran-2-yl)methanol (PubChem CID 74437439) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2-prop-1-enyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(2-prop-1-enyloxiran-2-yl)methanol
PubChem CID74437439
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2-prop-1-enyloxiran-2-yl)methanol
SMILESCC=CC1(CO)CO1
InChIInChI=1S/C6H10O2/c1-2-3-6(4-7)5-8-6/h2-3,7H,4-5H2,1H3
InChIKeyUCBQRGKIGCBYAO-UHFFFAOYSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(6-Methyl-2,3-dihydropyran-6-yl)methanol
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[(2S)-2-[(E)-prop-1-enyl]oxiran-2-yl]methanol
CID 25260360
2-(2-Prop-1-enyloxiran-2-yl)ethanol
CID 57190939
actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol
CID 59875225
[(5R)-5-methyl-2H-furan-5-yl]methanol
CID 59971468
4-Methoxypent-2-ene-1,5-diol
CID 88766415
(E)-2-methoxypent-3-en-1-ol
CID 89359738
(2-Ethenyloxiran-2-yl)methanol
CID 130144913
2-Methoxyhex-3-en-1-ol
CID 139928318
[(2R)-2-ethenyloxiran-2-yl]methanol
CID 140423810
2-Methoxypent-3-en-1-ol
CID 141039198

Frequently Asked Questions

What is the IUPAC name of (2-prop-1-enyloxiran-2-yl)methanol?
The IUPAC name of (2-prop-1-enyloxiran-2-yl)methanol (CID 74437439) is (2-prop-1-enyloxiran-2-yl)methanol.
What is the SMILES notation for (2-prop-1-enyloxiran-2-yl)methanol?
The canonical SMILES for (2-prop-1-enyloxiran-2-yl)methanol is CC=CC1(CO)CO1.
What is the InChIKey of (2-prop-1-enyloxiran-2-yl)methanol?
The InChIKey is UCBQRGKIGCBYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-6(4-7)5-8-6/h2-3,7H,4-5H2,1H3.
What are the key properties of (2-prop-1-enyloxiran-2-yl)methanol?
(2-prop-1-enyloxiran-2-yl)methanol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-enyloxiran-2-yl)methanol is sourced from PubChem (CID 74437439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).