(Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol

C8H16O2 — CID 142619812

IUPAC(Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol
SMILESC/C=C(/CO)C(C)(C)OC
InChIInChI=1S/C8H16O2/c1-5-7(6-9)8(2,3)10-4/h5,9H,6H2,1-4H3/b7-5-
InChIKeyLHMDUTCBEAUCHS-ALCCZGGFSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds3

About (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol

(Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol (PubChem CID 142619812) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol
PubChem CID142619812
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol
SMILESC/C=C(/CO)C(C)(C)OC
InChIInChI=1S/C8H16O2/c1-5-7(6-9)8(2,3)10-4/h5,9H,6H2,1-4H3/b7-5-
InChIKeyLHMDUTCBEAUCHS-ALCCZGGFSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol?
The IUPAC name of (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol (CID 142619812) is (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol.
What is the SMILES notation for (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol?
The canonical SMILES for (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol is C/C=C(/CO)C(C)(C)OC.
What is the InChIKey of (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol?
The InChIKey is LHMDUTCBEAUCHS-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(6-9)8(2,3)10-4/h5,9H,6H2,1-4H3/b7-5-.
What are the key properties of (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol?
(Z)-2-(2-methoxypropan-2-yl)but-2-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 (Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol is sourced from PubChem (CID 142619812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).