(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium

C17H30O6V — CID 54715869

IUPAC(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium
SMILESCCCC/C(C(=O)O)=C(\C)O.CCCC/C(C(C)=O)=C(\C)O.O=[V]
InChIInChI=1S/C9H16O2.C8H14O3.O.V/c1-4-5-6-9(7(2)10)8(3)11;1-3-4-5-7(6(2)9)8(10)11;;/h10H,4-6H2,1-3H3;9H,3-5H2,1-2H3,(H,10,11);;/b9-7-;7-6-;;
InChIKeyKLRMHXRBVHCIJP-RWAXYPKDSA-N
MW381.37 g/mol
LogP4.57
Rot. Bonds8

About (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium

(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium (PubChem CID 54715869) has the molecular formula C17H30O6V and a molecular weight of 381.37 g/mol. Its IUPAC name is (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium.

Molecular Properties

Compound Name(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium
PubChem CID54715869
Molecular FormulaC17H30O6V
Molecular Weight381.37 g/mol
Exact Mass381.15
IUPAC Name(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium
SMILESCCCC/C(C(=O)O)=C(\C)O.CCCC/C(C(C)=O)=C(\C)O.O=[V]
InChIInChI=1S/C9H16O2.C8H14O3.O.V/c1-4-5-6-9(7(2)10)8(3)11;1-3-4-5-7(6(2)9)8(10)11;;/h10H,4-6H2,1-3H3;9H,3-5H2,1-2H3,(H,10,11);;/b9-7-;7-6-;;
InChIKeyKLRMHXRBVHCIJP-RWAXYPKDSA-N
XLogP4.57
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(1-hydroxyethylidene)hexanoic acid
CID 54715870
(Z)-2-butyl-3-methylbut-2-enedioic acid
CID 19039252
2-butyl-3-octylbut-2-enedioic acid
CID 54144234
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
2-butan-2-ylideneoctanoic acid
CID 173391437
(Z)-2-methyl-3-undecylbut-2-enedioic acid
CID 142696116
(Z)-9,10-diacetyloctadec-9-enoic acid
CID 150473565
3-(1-hydroxyethylidene)heptane-2,6-dione
CID 616158
2-butyl-3,7-dimethylocta-2,6-dienoic acid
CID 90775093
3-methylhept-2-en-2-ol
CID 73309482
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
2-(1,2,2,2-tetrachloroethylidene)hexanoic acid
CID 173169769

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium?
The IUPAC name of (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium (CID 54715869) is (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium.
What is the SMILES notation for (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium?
The canonical SMILES for (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium is CCCC/C(C(=O)O)=C(\C)O.CCCC/C(C(C)=O)=C(\C)O.O=[V].
What is the InChIKey of (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium?
The InChIKey is KLRMHXRBVHCIJP-RWAXYPKDSA-N. The full InChI is InChI=1S/C9H16O2.C8H14O3.O.V/c1-4-5-6-9(7(2)10)8(3)11;1-3-4-5-7(6(2)9)8(10)11;;/h10H,4-6H2,1-3H3;9H,3-5H2,1-2H3,(H,10,11);;/b9-7-;7-6-;;.
What are the key properties of (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium?
(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium has a molecular weight of 381.37 g/mol, XLogP of 4.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium is sourced from PubChem (CID 54715869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).