2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol

C8H16O2 — CID 19025070

IUPAC2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol
SMILESC=CC(CO)OC(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-7(6-9)10-8(2,3)4/h5,7,9H,1,6H2,2-4H3
InChIKeyYWCDBRHDPDAVIG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol

2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol (PubChem CID 19025070) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol
PubChem CID19025070
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol
SMILESC=CC(CO)OC(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-7(6-9)10-8(2,3)4/h5,7,9H,1,6H2,2-4H3
InChIKeyYWCDBRHDPDAVIG-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
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-Propanol, 1-(1-methyl-2-(2-propenyloxy)ethoxy)-
CID 41674
2-Methoxy-3-buten-1-OL
CID 2735078
(E,2R)-9-(2-methylbut-3-en-2-yloxy)non-7-en-3,5-diyne-1,2-diol
CID 163041280
2-[(But-3-en-2-yl)oxy]ethan-1-ol
CID 14693003
3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-ol
CID 10877518
(2R)-2-methoxybut-3-en-1-ol
CID 8063406
(2R)-2-methyl-2-prop-2-enoxybut-3-en-1-ol
CID 10942539
(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
3-Methoxypent-4-en-2-ol
CID 12755458
1-[(2-Methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol
CID 14493904

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol (CID 19025070) is 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol is C=CC(CO)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol?
The InChIKey is YWCDBRHDPDAVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(6-9)10-8(2,3)4/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol?
2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]but-3-en-1-ol is sourced from PubChem (CID 19025070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).