methyl 2-methyl-3-propylhex-2-enoate;stannane

C11H24O2Sn — CID 173397601

IUPACmethyl 2-methyl-3-propylhex-2-enoate;stannane
SMILESCCCC(CCC)=C(C)C(=O)OC.[SnH4]
InChIInChI=1S/C11H20O2.Sn.4H/c1-5-7-10(8-6-2)9(3)11(12)13-4;;;;;/h5-8H2,1-4H3;;;;;
InChIKeyKPRBXSLDLPWSMC-UHFFFAOYSA-N
MW307.02 g/mol
LogP1.62
Rot. Bonds5

About methyl 2-methyl-3-propylhex-2-enoate;stannane

methyl 2-methyl-3-propylhex-2-enoate;stannane (PubChem CID 173397601) has the molecular formula C11H24O2Sn and a molecular weight of 307.02 g/mol. Its IUPAC name is methyl 2-methyl-3-propylhex-2-enoate;stannane.

Molecular Properties

Compound Namemethyl 2-methyl-3-propylhex-2-enoate;stannane
PubChem CID173397601
Molecular FormulaC11H24O2Sn
Molecular Weight307.02 g/mol
Exact Mass308.08
IUPAC Namemethyl 2-methyl-3-propylhex-2-enoate;stannane
SMILESCCCC(CCC)=C(C)C(=O)OC.[SnH4]
InChIInChI=1S/C11H20O2.Sn.4H/c1-5-7-10(8-6-2)9(3)11(12)13-4;;;;;/h5-8H2,1-4H3;;;;;
InChIKeyKPRBXSLDLPWSMC-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.02
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-propylhex-2-enoate;stannane?
The IUPAC name of methyl 2-methyl-3-propylhex-2-enoate;stannane (CID 173397601) is methyl 2-methyl-3-propylhex-2-enoate;stannane.
What is the SMILES notation for methyl 2-methyl-3-propylhex-2-enoate;stannane?
The canonical SMILES for methyl 2-methyl-3-propylhex-2-enoate;stannane is CCCC(CCC)=C(C)C(=O)OC.[SnH4].
What is the InChIKey of methyl 2-methyl-3-propylhex-2-enoate;stannane?
The InChIKey is KPRBXSLDLPWSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.Sn.4H/c1-5-7-10(8-6-2)9(3)11(12)13-4;;;;;/h5-8H2,1-4H3;;;;;.
What are the key properties of methyl 2-methyl-3-propylhex-2-enoate;stannane?
methyl 2-methyl-3-propylhex-2-enoate;stannane has a molecular weight of 307.02 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-propylhex-2-enoate;stannane is sourced from PubChem (CID 173397601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).