5-methanidylidene-2,6-dimethylhept-3-ene;yttrium

C10H16Y-2 — CID 58430468

IUPAC5-methanidylidene-2,6-dimethylhept-3-ene;yttrium
SMILES[H]/[C-]=C(/C=[C-]/C(C)C)C(C)C.[Y]
InChIInChI=1S/C10H16.Y/c1-8(2)6-7-10(5)9(3)4;/h5,7-9H,1-4H3;/q-2;
InChIKeyCRDURJVFTUPADR-UHFFFAOYSA-N
MW225.14 g/mol
LogP3.01
Rot. Bonds3

About 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium

5-methanidylidene-2,6-dimethylhept-3-ene;yttrium (PubChem CID 58430468) has the molecular formula C10H16Y-2 and a molecular weight of 225.14 g/mol. Its IUPAC name is 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium.

Molecular Properties

Compound Name5-methanidylidene-2,6-dimethylhept-3-ene;yttrium
PubChem CID58430468
Molecular FormulaC10H16Y-2
Molecular Weight225.14 g/mol
Exact Mass225.03
IUPAC Name5-methanidylidene-2,6-dimethylhept-3-ene;yttrium
SMILES[H]/[C-]=C(/C=[C-]/C(C)C)C(C)C.[Y]
InChIInChI=1S/C10H16.Y/c1-8(2)6-7-10(5)9(3)4;/h5,7-9H,1-4H3;/q-2;
InChIKeyCRDURJVFTUPADR-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(3Z)-2-methylpenta-1,3-diene;yttrium
CID 58172805
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CID 164767531
but-1-ene;2-methylpropane;yttrium
CID 178013549
2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium
CID 58754481
3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium
CID 149329488
ethanimidoyl 2-methylpropanimidate
CID 153001593
(1-amino-2-methylpropylidene)azanium
CID 6346755
2-methylpropanedithioate
CID 19087069
zinc;prop-1-ene;chloride
CID 159587457

Frequently Asked Questions

What is the IUPAC name of 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium?
The IUPAC name of 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium (CID 58430468) is 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium.
What is the SMILES notation for 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium?
The canonical SMILES for 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium is [H]/[C-]=C(/C=[C-]/C(C)C)C(C)C.[Y].
What is the InChIKey of 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium?
The InChIKey is CRDURJVFTUPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.Y/c1-8(2)6-7-10(5)9(3)4;/h5,7-9H,1-4H3;/q-2;.
What are the key properties of 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium?
5-methanidylidene-2,6-dimethylhept-3-ene;yttrium has a molecular weight of 225.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanidylidene-2,6-dimethylhept-3-ene;yttrium is sourced from PubChem (CID 58430468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).