[(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium

C9H12CrO — CID 10871164

IUPAC[(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium
SMILESC=C1C(=[Cr])O[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C9H12O.Cr/c1-7-6-10-9-5-3-2-4-8(7)9;/h8-9H,1-5H2;/t8-,9+;/m0./s1
InChIKeyRZBVDZJHZLSBMS-OULXEKPRSA-N
MW188.19 g/mol
LogP1.81
Rot. Bonds

About [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium

[(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium (PubChem CID 10871164) has the molecular formula C9H12CrO and a molecular weight of 188.19 g/mol. Its IUPAC name is [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium.

Molecular Properties

Compound Name[(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium
PubChem CID10871164
Molecular FormulaC9H12CrO
Molecular Weight188.19 g/mol
Exact Mass188.03
IUPAC Name[(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium
SMILESC=C1C(=[Cr])O[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C9H12O.Cr/c1-7-6-10-9-5-3-2-4-8(7)9;/h8-9H,1-5H2;/t8-,9+;/m0./s1
InChIKeyRZBVDZJHZLSBMS-OULXEKPRSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium with MolForge

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Related Compounds

3-methylidene-3a,4,5,6,7,8,9,10,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one
CID 14543194
(1S,9E,15R)-18-methylidene-16-oxabicyclo[13.3.0]octadec-9-en-17-one
CID 177410981
(3aS,7Z,15aS)-3-methylidene-3a,4,5,6,9,10,11,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-2-one
CID 15866740
(1R,12R)-13-oxabicyclo[10.2.0]tetradecan-14-one
CID 101342521
(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one
CID 101405571
(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
CID 28765601
2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b][1,4]benzodioxine
CID 58183452
(5aR,9aS)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5]trioxepine-2,4-dione
CID 57020172
(1R,9S,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane-3,7,16,20-tetrone
CID 13402502
3-methylidene-3a,4,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][1]benzofuran-2-one
CID 59806532
(3Z)-3-(2,2,2-trifluoroethylidene)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
CID 10376158
(4aS,8aR)-2-tert-butyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 23258288

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium?
The IUPAC name of [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium (CID 10871164) is [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium.
What is the SMILES notation for [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium?
The canonical SMILES for [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium is C=C1C(=[Cr])O[C@@H]2CCCC[C@@H]12.
What is the InChIKey of [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium?
The InChIKey is RZBVDZJHZLSBMS-OULXEKPRSA-N. The full InChI is InChI=1S/C9H12O.Cr/c1-7-6-10-9-5-3-2-4-8(7)9;/h8-9H,1-5H2;/t8-,9+;/m0./s1.
What are the key properties of [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium?
[(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium has a molecular weight of 188.19 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aR)-3-methylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-ylidene]chromium is sourced from PubChem (CID 10871164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).