(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium

C6H8CrO2 — CID 11141229

IUPAC(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
SMILESCC1=CC(=[Cr])OCCO1
InChIInChI=1S/C6H8O2.Cr/c1-6-2-3-7-4-5-8-6;/h2H,4-5H2,1H3;
InChIKeyOGRVHINDMMZHRF-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.61
Rot. Bonds

About (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium

(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium (PubChem CID 11141229) has the molecular formula C6H8CrO2 and a molecular weight of 164.12 g/mol. Its IUPAC name is (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium.

Molecular Properties

Compound Name(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
PubChem CID11141229
Molecular FormulaC6H8CrO2
Molecular Weight164.12 g/mol
Exact Mass163.99
IUPAC Name(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
SMILESCC1=CC(=[Cr])OCCO1
InChIInChI=1S/C6H8O2.Cr/c1-6-2-3-7-4-5-8-6;/h2H,4-5H2,1H3;
InChIKeyOGRVHINDMMZHRF-UHFFFAOYSA-N
XLogP0.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
The IUPAC name of (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium (CID 11141229) is (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium.
What is the SMILES notation for (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
The canonical SMILES for (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium is CC1=CC(=[Cr])OCCO1.
What is the InChIKey of (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
The InChIKey is OGRVHINDMMZHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.Cr/c1-6-2-3-7-4-5-8-6;/h2H,4-5H2,1H3;.
What are the key properties of (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium?
(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium has a molecular weight of 164.12 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium is sourced from PubChem (CID 11141229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).