1-but-3-enoxyethylidenechromium

C6H10CrO — CID 135085766

IUPAC1-but-3-enoxyethylidenechromium
SMILESC=CCCOC(C)=[Cr]
InChIInChI=1S/C6H10O.Cr/c1-3-5-6-7-4-2;/h3H,1,5-6H2,2H3;
InChIKeySMHDZWTWOXAZBH-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.28
Rot. Bonds4

About 1-but-3-enoxyethylidenechromium

1-but-3-enoxyethylidenechromium (PubChem CID 135085766) has the molecular formula C6H10CrO and a molecular weight of 150.14 g/mol. Its IUPAC name is 1-but-3-enoxyethylidenechromium.

Molecular Properties

Compound Name1-but-3-enoxyethylidenechromium
PubChem CID135085766
Molecular FormulaC6H10CrO
Molecular Weight150.14 g/mol
Exact Mass150.01
IUPAC Name1-but-3-enoxyethylidenechromium
SMILESC=CCCOC(C)=[Cr]
InChIInChI=1S/C6H10O.Cr/c1-3-5-6-7-4-2;/h3H,1,5-6H2,2H3;
InChIKeySMHDZWTWOXAZBH-UHFFFAOYSA-N
XLogP1.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.28
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

bis(but-3-enyl) 2-methylpropanedioate
CID 90481204
but-3-enyl 2-hydroxy-2-methylpropanoate
CID 18413295
3-but-3-enoxy-2-methyl-3-oxopropanoic acid
CID 130296980
but-3-enyl pentadecyl carbonate
CID 91692457
but-3-enyl 2-amino-3,3-dimethylbutanoate
CID 76657917
ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637
hex-5-enyl acetate
CID 537536
3-but-3-enoxy-3-oxopropanoic acid
CID 87604674
4-ethoxybut-1-ene
CID 533994
pentadec-14-enyl acetate
CID 87443745
nonadec-18-enyl acetate
CID 87443633
but-3-enyl hept-6-enoate
CID 86101121

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxyethylidenechromium?
The IUPAC name of 1-but-3-enoxyethylidenechromium (CID 135085766) is 1-but-3-enoxyethylidenechromium.
What is the SMILES notation for 1-but-3-enoxyethylidenechromium?
The canonical SMILES for 1-but-3-enoxyethylidenechromium is C=CCCOC(C)=[Cr].
What is the InChIKey of 1-but-3-enoxyethylidenechromium?
The InChIKey is SMHDZWTWOXAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.Cr/c1-3-5-6-7-4-2;/h3H,1,5-6H2,2H3;.
What are the key properties of 1-but-3-enoxyethylidenechromium?
1-but-3-enoxyethylidenechromium has a molecular weight of 150.14 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxyethylidenechromium is sourced from PubChem (CID 135085766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).