[3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol

C10H18O2 — CID 141029004

IUPAC[3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol
SMILESC=C(C)CC1(CC)COC1CO
InChIInChI=1S/C10H18O2/c1-4-10(5-8(2)3)7-12-9(10)6-11/h9,11H,2,4-7H2,1,3H3
InChIKeyJODXTYJBKNODHL-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds4

About [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol

[3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol (PubChem CID 141029004) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol
PubChem CID141029004
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol
SMILESC=C(C)CC1(CC)COC1CO
InChIInChI=1S/C10H18O2/c1-4-10(5-8(2)3)7-12-9(10)6-11/h9,11H,2,4-7H2,1,3H3
InChIKeyJODXTYJBKNODHL-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-Ethyloxetan-3-yl)prop-1-en-2-yloxy]propan-2-ol
CID 118482923
2-[3-(3-Ethyloxetan-3-yl)prop-1-en-2-yloxy]ethanol
CID 118482982
1-(2,4,4,6-Tetramethylhept-6-enoxy)propan-2-ol
CID 139606102
1-(2,4,4-Trimethylhept-6-enoxy)butan-2-ol
CID 139606103
1-(2,4,4,6-Tetramethylhept-6-enoxy)butan-2-ol
CID 139606107
(3-Ethyl-3-prop-2-enyloxetan-2-yl)methanol
CID 141029005
4,4,5-Trimethylhex-5-ene-1,2-diol
CID 141238036
3-Ethoxy-2,2,7-trimethyloct-7-en-4-ol
CID 114474048
3-Ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol
CID 116713341

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol?
The IUPAC name of [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol (CID 141029004) is [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol.
What is the SMILES notation for [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol?
The canonical SMILES for [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol is C=C(C)CC1(CC)COC1CO.
What is the InChIKey of [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol?
The InChIKey is JODXTYJBKNODHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-10(5-8(2)3)7-12-9(10)6-11/h9,11H,2,4-7H2,1,3H3.
What are the key properties of [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol?
[3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol is sourced from PubChem (CID 141029004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).