1-[(E)-but-2-enoxy]-3,3-dimethylbutane

C10H20O — CID 165165708

IUPAC1-[(E)-but-2-enoxy]-3,3-dimethylbutane
SMILESC/C=C/COCCC(C)(C)C
InChIInChI=1S/C10H20O/c1-5-6-8-11-9-7-10(2,3)4/h5-6H,7-9H2,1-4H3/b6-5+
InChIKeyKTTVOSDJIVZSMW-AATRIKPKSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds4

About 1-[(E)-but-2-enoxy]-3,3-dimethylbutane

1-[(E)-but-2-enoxy]-3,3-dimethylbutane (PubChem CID 165165708) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-3,3-dimethylbutane.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-3,3-dimethylbutane
PubChem CID165165708
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-[(E)-but-2-enoxy]-3,3-dimethylbutane
SMILESC/C=C/COCCC(C)(C)C
InChIInChI=1S/C10H20O/c1-5-6-8-11-9-7-10(2,3)4/h5-6H,7-9H2,1-4H3/b6-5+
InChIKeyKTTVOSDJIVZSMW-AATRIKPKSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-dimethylbutoxy)but-2-en-1-amine
CID 77135452
1,6-bis(but-2-enoxy)hexane
CID 173425920
2-[(E)-but-2-enoxy]ethanamine
CID 58684399
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
6-[(E)-but-2-enoxy]-2,2-dimethylhexanenitrile
CID 106710483
1-but-2-enoxybutane
CID 543904
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325
1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane
CID 155602878
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812
1-but-2-enoxyoctadecane
CID 123608986
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-3,3-dimethylbutane?
The IUPAC name of 1-[(E)-but-2-enoxy]-3,3-dimethylbutane (CID 165165708) is 1-[(E)-but-2-enoxy]-3,3-dimethylbutane.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-3,3-dimethylbutane?
The canonical SMILES for 1-[(E)-but-2-enoxy]-3,3-dimethylbutane is C/C=C/COCCC(C)(C)C.
What is the InChIKey of 1-[(E)-but-2-enoxy]-3,3-dimethylbutane?
The InChIKey is KTTVOSDJIVZSMW-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20O/c1-5-6-8-11-9-7-10(2,3)4/h5-6H,7-9H2,1-4H3/b6-5+.
What are the key properties of 1-[(E)-but-2-enoxy]-3,3-dimethylbutane?
1-[(E)-but-2-enoxy]-3,3-dimethylbutane has a molecular weight of 156.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-3,3-dimethylbutane is sourced from PubChem (CID 165165708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).