[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium

C14H18CrO3 — CID 12039721

IUPAC[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)C2OC(C)(C)OC12
InChIInChI=1S/C14H18O3.Cr/c1-14(2)16-12-10(8-15-3)11(13(12)17-14)9-6-4-5-7-9;/h6,12-13H,4-5,7H2,1-3H3;
InChIKeySCNHCOMCKZHNPX-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.25
Rot. Bonds3

About [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium

[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium (PubChem CID 12039721) has the molecular formula C14H18CrO3 and a molecular weight of 286.29 g/mol. Its IUPAC name is [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Name[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
PubChem CID12039721
Molecular FormulaC14H18CrO3
Molecular Weight286.29 g/mol
Exact Mass286.07
IUPAC Name[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)C2OC(C)(C)OC12
InChIInChI=1S/C14H18O3.Cr/c1-14(2)16-12-10(8-15-3)11(13(12)17-14)9-6-4-5-7-9;/h6,12-13H,4-5,7H2,1-3H3;
InChIKeySCNHCOMCKZHNPX-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
CID 134884872
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
CID 11162206
5'-methylspiro[1,3-dioxolane-2,3'-2,6-dihydro-1H-pentalene]
CID 90455275
8,9-Bis(but-2-en-2-yl)-1,4-dioxaspiro[4.4]non-8-ene
CID 123966502
(3aS,7aR)-7-(cyclohexen-1-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 10847314
(3aR,7aS)-4-butyl-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 12062323
9-Pentyl-1,4-dioxaspiro[4.4]non-8-ene
CID 12454210
6-(Cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene
CID 101202650

Frequently Asked Questions

What is the IUPAC name of [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
The IUPAC name of [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium (CID 12039721) is [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium.
What is the SMILES notation for [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
The canonical SMILES for [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium is COC(=[Cr])C1=C(C2=CCCC2)C2OC(C)(C)OC12.
What is the InChIKey of [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
The InChIKey is SCNHCOMCKZHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3.Cr/c1-14(2)16-12-10(8-15-3)11(13(12)17-14)9-6-4-5-7-9;/h6,12-13H,4-5,7H2,1-3H3;.
What are the key properties of [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium has a molecular weight of 286.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 12039721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).