1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol

C13H26O2 — CID 91316021

IUPAC1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol
SMILESC=CCCOC(O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-8-9-15-11(14)13(5,6)10-12(2,3)4/h7,11,14H,1,8-10H2,2-6H3
InChIKeyZZPMGLOABWYMOO-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.36
Rot. Bonds6

About 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol

1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol (PubChem CID 91316021) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol.

Molecular Properties

Compound Name1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol
PubChem CID91316021
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol
SMILESC=CCCOC(O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-8-9-15-11(14)13(5,6)10-12(2,3)4/h7,11,14H,1,8-10H2,2-6H3
InChIKeyZZPMGLOABWYMOO-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enoxypropanoic acid
CID 43128770
2-butan-2-yl-2,4,4-trimethyl-1-prop-2-enoxypentan-1-ol
CID 123883784
but-3-enoxy(ditert-butyl)silane
CID 123806243
3-but-3-enoxy-N-tert-butylbutan-1-amine
CID 114998637
2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111543219
diethyl 2-but-3-enoxypropanedioate
CID 88610894
but-3-enyl 2-amino-3,3-dimethylbutanoate
CID 76657917
1-(3-methoxypropoxy)-2,2-dimethylpropane-1,3-diol;prop-2-enoic acid
CID 175711628
1-methoxydec-9-ene-3,6-diol
CID 91577196
3-but-3-enoxybutan-1-amine
CID 114997092
but-3-enyl 2-hydroxy-2-methylpropanoate
CID 18413295
4,4-dimethylhept-6-en-3-ol
CID 74440422

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol?
The IUPAC name of 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol (CID 91316021) is 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol.
What is the SMILES notation for 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol?
The canonical SMILES for 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol is C=CCCOC(O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol?
The InChIKey is ZZPMGLOABWYMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-8-9-15-11(14)13(5,6)10-12(2,3)4/h7,11,14H,1,8-10H2,2-6H3.
What are the key properties of 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol?
1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2,2,4,4-tetramethylpentan-1-ol is sourced from PubChem (CID 91316021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).