2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol

C11H20O3 — CID 20697415

IUPAC2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol
SMILESC=CC(C)(COC(C)(C=C)CO)OC
InChIInChI=1S/C11H20O3/c1-6-10(3,8-12)14-9-11(4,7-2)13-5/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyKFFVYTIUYMPXRI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.53
Rot. Bonds7

About 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol

2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol (PubChem CID 20697415) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol
PubChem CID20697415
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol
SMILESC=CC(C)(COC(C)(C=C)CO)OC
InChIInChI=1S/C11H20O3/c1-6-10(3,8-12)14-9-11(4,7-2)13-5/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyKFFVYTIUYMPXRI-UHFFFAOYSA-N
XLogP1.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-ol
CID 10877518
(2R)-2-methyl-2-prop-2-enoxybut-3-en-1-ol
CID 10942539
(2R)-2-methoxy-2-methylbut-3-en-1-ol
CID 29924164
Divinyl diethylene glycol
CID 87258459
Divinyl triethylene glycol
CID 87292636
2,2'-Oxybis-3-buten-1-OL
CID 55097
2-Propan-2-yloxy-2-(trifluoromethyl)but-3-en-1-ol
CID 171417855
3-Buten-1-ol, 2-(3-butenyloxy)-, (2R)-
CID 11275059
3-(1-Prop-2-enoxyethyl)penta-1,4-dien-3-ol
CID 85299270
(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol
CID 100946656
(2R)-2-propan-2-yloxybut-3-en-1-ol
CID 130650949
2-(3-Ethenyloxetan-3-yl)oxyethanol
CID 162405959

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol?
The IUPAC name of 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol (CID 20697415) is 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol?
The canonical SMILES for 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol is C=CC(C)(COC(C)(C=C)CO)OC.
What is the InChIKey of 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol?
The InChIKey is KFFVYTIUYMPXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-10(3,8-12)14-9-11(4,7-2)13-5/h6-7,12H,1-2,8-9H2,3-5H3.
What are the key properties of 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol?
2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 20697415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).