(1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium

C15H18CrO — CID 11774124

IUPAC(1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium
SMILESCCOC(=[Cr])C(C)CCC#Cc1ccccc1
InChIInChI=1S/C15H18O.Cr/c1-3-16-13-14(2)9-7-8-12-15-10-5-4-6-11-15;/h4-6,10-11,14H,3,7,9H2,1-2H3;
InChIKeyYWOMEEJMUILHLQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.17
Rot. Bonds5

About (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium

(1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium (PubChem CID 11774124) has the molecular formula C15H18CrO and a molecular weight of 266.30 g/mol. Its IUPAC name is (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium.

Molecular Properties

Compound Name(1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium
PubChem CID11774124
Molecular FormulaC15H18CrO
Molecular Weight266.30 g/mol
Exact Mass266.08
IUPAC Name(1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium
SMILESCCOC(=[Cr])C(C)CCC#Cc1ccccc1
InChIInChI=1S/C15H18O.Cr/c1-3-16-13-14(2)9-7-8-12-15-10-5-4-6-11-15;/h4-6,10-11,14H,3,7,9H2,1-2H3;
InChIKeyYWOMEEJMUILHLQ-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-phenylhex-5-yn-2-amine
CID 71351501
ethyl 2-(3-phenylprop-2-ynylamino)propanoate
CID 62340198
4-methylpent-1-ynylbenzene
CID 12861410
diethyl 2-(2-oxo-6-phenylhex-5-ynylidene)propanedioate
CID 11110251
diethoxy(4-phenylbut-3-ynyl)silane
CID 123394043
ethyl (3S)-3-(dimethoxymethyl)-2-methylidene-6-phenylhex-5-ynoate
CID 132938649
(2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane
CID 102466801
tridec-1-ynylbenzene
CID 19991064
ethyl 4-(4-phenylbuta-1,3-diynyl)benzoate
CID 25052516
1-pent-1-ynyl-3-phenylbenzene
CID 177471629
ethyl (2S,3R)-2,3-dihydroxy-5-phenylpent-4-ynoate
CID 23248824
2-(3-phenylprop-2-ynylamino)pentanoic acid
CID 55060710

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium?
The IUPAC name of (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium (CID 11774124) is (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium.
What is the SMILES notation for (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium?
The canonical SMILES for (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium is CCOC(=[Cr])C(C)CCC#Cc1ccccc1.
What is the InChIKey of (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium?
The InChIKey is YWOMEEJMUILHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O.Cr/c1-3-16-13-14(2)9-7-8-12-15-10-5-4-6-11-15;/h4-6,10-11,14H,3,7,9H2,1-2H3;.
What are the key properties of (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium?
(1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium has a molecular weight of 266.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium is sourced from PubChem (CID 11774124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).