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

C9H16O3 — CID 20697414

IUPAC2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol
SMILESC=CC(O)COC(C)(C=C)CO
InChIInChI=1S/C9H16O3/c1-4-8(11)6-12-9(3,5-2)7-10/h4-5,8,10-11H,1-2,6-7H2,3H3
InChIKeyBHRQXTZTDMEVMP-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.49
Rot. Bonds6

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

2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol (PubChem CID 20697414) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol
PubChem CID20697414
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol
SMILESC=CC(O)COC(C)(C=C)CO
InChIInChI=1S/C9H16O3/c1-4-8(11)6-12-9(3,5-2)7-10/h4-5,8,10-11H,1-2,6-7H2,3H3
InChIKeyBHRQXTZTDMEVMP-UHFFFAOYSA-N
XLogP0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-3-buten-1-OL
CID 2735078
3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-ol
CID 10877518
(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol
CID 135079442
(2R)-2-methoxybut-3-en-1-ol
CID 8063406
(2R)-2-methyl-2-prop-2-enoxybut-3-en-1-ol
CID 10942539
3-Buten-2-ol, 1-(2-propenyloxy)-
CID 11715179
(2R)-2-methoxy-2-methylbut-3-en-1-ol
CID 29924164
2,2'-Oxybis-3-buten-1-OL
CID 55097
2-Propan-2-yloxy-2-(trifluoromethyl)but-3-en-1-ol
CID 171417855
1-[(2-Methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol
CID 14493904
3-Buten-1-ol, 2-(3-butenyloxy)-, (2R)-
CID 11275059
(5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol
CID 13263780

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol?
The IUPAC name of 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol (CID 20697414) is 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol?
The canonical SMILES for 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol is C=CC(O)COC(C)(C=C)CO.
What is the InChIKey of 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol?
The InChIKey is BHRQXTZTDMEVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-8(11)6-12-9(3,5-2)7-10/h4-5,8,10-11H,1-2,6-7H2,3H3.
What are the key properties of 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol?
2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 20697414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).