(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium

C10H19O2Y- — CID 59027665

IUPAC(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium
SMILES[CH2-]/C(=C(\CC)OC)C(CC)OC.[Y]
InChIInChI=1S/C10H19O2.Y/c1-6-9(11-4)8(3)10(7-2)12-5;/h9H,3,6-7H2,1-2,4-5H3;/q-1;/b10-8-;
InChIKeyDXZAOKYRVKGGMP-DQMXGCRQSA-N
MW260.17 g/mol
LogP2.55
Rot. Bonds5

About (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium

(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium (PubChem CID 59027665) has the molecular formula C10H19O2Y- and a molecular weight of 260.17 g/mol. Its IUPAC name is (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium.

Molecular Properties

Compound Name(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium
PubChem CID59027665
Molecular FormulaC10H19O2Y-
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium
SMILES[CH2-]/C(=C(\CC)OC)C(CC)OC.[Y]
InChIInChI=1S/C10H19O2.Y/c1-6-9(11-4)8(3)10(7-2)12-5;/h9H,3,6-7H2,1-2,4-5H3;/q-1;/b10-8-;
InChIKeyDXZAOKYRVKGGMP-DQMXGCRQSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3,6-Dimethoxy-1,2,4,5-tetramethylcyclohexa-1,4-diene
CID 68493704
2,4-Dimethoxy-3-methylpent-2-ene
CID 91050234
2,4-Dimethoxy-3-methylhex-2-ene
CID 91148659
2,4,6-triethyl-3,5-dimethyl-2H-pyran
CID 117890919
4-Methoxy-2,3-dimethylhept-2-ene
CID 123681430
(4E)-3-methoxy-2,4,5-trimethylocta-2,4-diene
CID 134360434
2-Methoxy-3-(1-methoxyethyl)-4-methylpent-2-ene
CID 141096935
5-Methoxy-4-methylhept-3-en-3-ol
CID 149732560
(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;molecular iodine;yttrium
CID 160208800
(2E,5E)-3,5-dimethyl-4-prop-1-enoxyhepta-2,5-diene
CID 173473338
4-ethyl-2,3,5,6-tetramethyl-2H-pyran
CID 290513
(Z)-3,5-dimethoxy-4-methylhept-3-ene
CID 59027666

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium?
The IUPAC name of (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium (CID 59027665) is (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium.
What is the SMILES notation for (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium?
The canonical SMILES for (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium is [CH2-]/C(=C(\CC)OC)C(CC)OC.[Y].
What is the InChIKey of (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium?
The InChIKey is DXZAOKYRVKGGMP-DQMXGCRQSA-N. The full InChI is InChI=1S/C10H19O2.Y/c1-6-9(11-4)8(3)10(7-2)12-5;/h9H,3,6-7H2,1-2,4-5H3;/q-1;/b10-8-;.
What are the key properties of (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium?
(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium has a molecular weight of 260.17 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium is sourced from PubChem (CID 59027665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).