2-propan-2-ylbut-2-en-1-ol

C7H14O — CID 76567926

IUPAC2-propan-2-ylbut-2-en-1-ol
SMILESCC=C(CO)C(C)C
InChIInChI=1S/C7H14O/c1-4-7(5-8)6(2)3/h4,6,8H,5H2,1-3H3
InChIKeyISWVKESRLISSTD-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds2

About 2-propan-2-ylbut-2-en-1-ol

2-propan-2-ylbut-2-en-1-ol (PubChem CID 76567926) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-propan-2-ylbut-2-en-1-ol.

Molecular Properties

Compound Name2-propan-2-ylbut-2-en-1-ol
PubChem CID76567926
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-propan-2-ylbut-2-en-1-ol
SMILESCC=C(CO)C(C)C
InChIInChI=1S/C7H14O/c1-4-7(5-8)6(2)3/h4,6,8H,5H2,1-3H3
InChIKeyISWVKESRLISSTD-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-propan-2-ylhex-2-ene
CID 142020071
(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
CID 58663285
(2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol
CID 11344440
2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol
CID 79334541
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
5-methyl-3-propan-2-yloct-2-ene
CID 123290549
2-[(4-chlorophenyl)methylidene]-3-methylbutan-1-ol
CID 68707841
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79335798
1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene
CID 123349804
(Z)-6-nitroso-3-propan-2-ylhex-2-ene
CID 163554902
1-hydroxypropan-2-olate
CID 21225559
methyl 3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-4-enoate
CID 163061148

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbut-2-en-1-ol?
The IUPAC name of 2-propan-2-ylbut-2-en-1-ol (CID 76567926) is 2-propan-2-ylbut-2-en-1-ol.
What is the SMILES notation for 2-propan-2-ylbut-2-en-1-ol?
The canonical SMILES for 2-propan-2-ylbut-2-en-1-ol is CC=C(CO)C(C)C.
What is the InChIKey of 2-propan-2-ylbut-2-en-1-ol?
The InChIKey is ISWVKESRLISSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-7(5-8)6(2)3/h4,6,8H,5H2,1-3H3.
What are the key properties of 2-propan-2-ylbut-2-en-1-ol?
2-propan-2-ylbut-2-en-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbut-2-en-1-ol is sourced from PubChem (CID 76567926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).