1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium

C15H22OV — CID 142005726

IUPAC1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium
SMILESCC(=[V])O/C(C)=C\C=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C15H22O.V/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5;/h8-10H,7,11H2,1-5H3;/b13-9-,14-10-;
InChIKeyFHVAIRNNNYNXKZ-URPJZVTBSA-N
MW269.28 g/mol
LogP4.30
Rot. Bonds3

About 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium

1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium (PubChem CID 142005726) has the molecular formula C15H22OV and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium.

Molecular Properties

Compound Name1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium
PubChem CID142005726
Molecular FormulaC15H22OV
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium
SMILESCC(=[V])O/C(C)=C\C=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C15H22O.V/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5;/h8-10H,7,11H2,1-5H3;/b13-9-,14-10-;
InChIKeyFHVAIRNNNYNXKZ-URPJZVTBSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-1-olate
CID 23686260
lithium (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-olate
CID 134889537
2,6-Dimethyl-4,4-dipropylpyran
CID 134989762
1-Methoxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,4-diene
CID 15790722
4-(2,6,6-Trimethyl-2-cyclohexen-1-ylidene)-2-acetoxybut-2-ene
CID 20371353
4-(2,6,6-Trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl acetate
CID 53406773
6-(3-Methoxybut-2-enyl)-1,5,5-trimethylcyclohexene
CID 57197989
6-(3-Ethoxybut-2-enyl)-1,5,5-trimethylcyclohexene
CID 57302463
(6Z)-1,5,5-trimethyl-6-[(Z)-3-pentoxybut-2-enylidene]cyclohexene
CID 88829821
1,5,5-Trimethyl-6-(3-pentoxybut-2-enylidene)cyclohexene
CID 88829822
(6E)-6-(methoxymethylidene)-1,3,3-trimethylcyclohexene
CID 121481800
2,4,4-Trimethyl-2-cyclohexenylidenemethyl methyl ether
CID 121481801

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium?
The IUPAC name of 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium (CID 142005726) is 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium.
What is the SMILES notation for 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium?
The canonical SMILES for 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium is CC(=[V])O/C(C)=C\C=C1\C(C)=CCCC1(C)C.
What is the InChIKey of 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium?
The InChIKey is FHVAIRNNNYNXKZ-URPJZVTBSA-N. The full InChI is InChI=1S/C15H22O.V/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5;/h8-10H,7,11H2,1-5H3;/b13-9-,14-10-;.
What are the key properties of 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium?
1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium has a molecular weight of 269.28 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,4E)-4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-2-en-2-yl]oxyethylidenevanadium is sourced from PubChem (CID 142005726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).