(3-ethyl-3-prop-2-enyloxetan-2-yl)methanol

C9H16O2 — CID 141029005

IUPAC(3-ethyl-3-prop-2-enyloxetan-2-yl)methanol
SMILESC=CCC1(CC)COC1CO
InChIInChI=1S/C9H16O2/c1-3-5-9(4-2)7-11-8(9)6-10/h3,8,10H,1,4-7H2,2H3
InChIKeySOFITZRRBTUNTL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds4

About (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol

(3-ethyl-3-prop-2-enyloxetan-2-yl)methanol (PubChem CID 141029005) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-3-prop-2-enyloxetan-2-yl)methanol
PubChem CID141029005
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3-ethyl-3-prop-2-enyloxetan-2-yl)methanol
SMILESC=CCC1(CC)COC1CO
InChIInChI=1S/C9H16O2/c1-3-5-9(4-2)7-11-8(9)6-10/h3,8,10H,1,4-7H2,2H3
InChIKeySOFITZRRBTUNTL-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
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

2-Ethoxy-4,4-dimethylhepta-1,6-dien-3-ol
CID 86074072
(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
CID 135038994
1-Methoxy-3-(methoxymethyl)hex-5-en-2-ol
CID 54511644
(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol
CID 58260802
(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol
CID 58260804
(3-Prop-2-enyloxetan-2-yl)methanol
CID 69422031
3,3-Dimethylhex-5-ene-1,2-diol
CID 88954245
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-Trimethylhept-6-enoxy)butan-2-ol
CID 139606103
1-[3-(3-Ethyloxetan-3-yl)prop-1-enoxy]propan-2-ol
CID 140130457
[3-Ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol
CID 141029004

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol?
The IUPAC name of (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol (CID 141029005) is (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol.
What is the SMILES notation for (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol?
The canonical SMILES for (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol is C=CCC1(CC)COC1CO.
What is the InChIKey of (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol?
The InChIKey is SOFITZRRBTUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-9(4-2)7-11-8(9)6-10/h3,8,10H,1,4-7H2,2H3.
What are the key properties of (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol?
(3-ethyl-3-prop-2-enyloxetan-2-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-prop-2-enyloxetan-2-yl)methanol is sourced from PubChem (CID 141029005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).