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

Butane, 1-(2-propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-
CID 69628
2-Butene, 1-butoxy-3-methyl-
CID 551194
2-Butene, 1-butoxy-, (E)-
CID 5364692
2-Butene, 1,4-dibutoxy-, (E)-
CID 10998037
1,4-Dibutoxy-(z)-2-butene
CID 11084861
3-Methyl-2-butenyl 3-methylbutyl ether
CID 12429441
1-[(Z)-but-2-enoxy]butane
CID 12476377
(2-Methylbutyl)allyl ether
CID 13315701
Allyl neopentyl ether
CID 20038083
1-[(E)-but-2-enoxy]-3-fluoro-2,2-dimethylbutane
CID 138726593
1-[(E)-but-2-enoxy]-5,5-dimethylhexa-2,3-diene
CID 12986854
1-Butoxy-2-methyl-2-butene (Z)-
CID 5366206

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).