[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium

C16H22CrO3 — CID 11102474

IUPAC[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
SMILESC=CCOC/C=C(\C)C1=C(C(=[Cr])OC)C2OCCCC12
InChIInChI=1S/C16H22O3.Cr/c1-4-8-18-10-7-12(2)15-13-6-5-9-19-16(13)14(15)11-17-3;/h4,7,13,16H,1,5-6,8-10H2,2-3H3;/b12-7+;
InChIKeyGAFYUVLNMZLBOT-RRAJOLSVSA-N
MW314.35 g/mol
LogP2.56
Rot. Bonds7

About [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium

[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium (PubChem CID 11102474) has the molecular formula C16H22CrO3 and a molecular weight of 314.35 g/mol. Its IUPAC name is [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium.

Molecular Properties

Compound Name[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
PubChem CID11102474
Molecular FormulaC16H22CrO3
Molecular Weight314.35 g/mol
Exact Mass314.10
IUPAC Name[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
SMILESC=CCOC/C=C(\C)C1=C(C(=[Cr])OC)C2OCCCC12
InChIInChI=1S/C16H22O3.Cr/c1-4-8-18-10-7-12(2)15-13-6-5-9-19-16(13)14(15)11-17-3;/h4,7,13,16H,1,5-6,8-10H2,2-3H3;/b12-7+;
InChIKeyGAFYUVLNMZLBOT-RRAJOLSVSA-N
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 135002842
carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102473
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 135002848
Carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 135003047
Carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004187
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
(2R,4S)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxane
CID 14805481
(2S,4S)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxane
CID 14805482
6-Methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane
CID 3842532
6-methyl-2-[(E)-prop-1-enyl]-3-prop-1-en-2-yloxane
CID 5937713
2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxane
CID 21647325

Frequently Asked Questions

What is the IUPAC name of [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
The IUPAC name of [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium (CID 11102474) is [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium.
What is the SMILES notation for [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
The canonical SMILES for [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium is C=CCOC/C=C(\C)C1=C(C(=[Cr])OC)C2OCCCC12.
What is the InChIKey of [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
The InChIKey is GAFYUVLNMZLBOT-RRAJOLSVSA-N. The full InChI is InChI=1S/C16H22O3.Cr/c1-4-8-18-10-7-12(2)15-13-6-5-9-19-16(13)14(15)11-17-3;/h4,7,13,16H,1,5-6,8-10H2,2-3H3;/b12-7+;.
What are the key properties of [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium has a molecular weight of 314.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium is sourced from PubChem (CID 11102474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).