λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate

C12H24O2Sn — CID 174493428

IUPACλ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate
SMILESCC(C)C=C(C(=O)OC(C)C)C(C)C.[SnH2]
InChIInChI=1S/C12H22O2.Sn.2H/c1-8(2)7-11(9(3)4)12(13)14-10(5)6;;;/h7-10H,1-6H3;;;
InChIKeyNBZWZRVWVRYQQX-UHFFFAOYSA-N
MW319.03 g/mol
LogP2.26
Rot. Bonds4

About λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate

λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate (PubChem CID 174493428) has the molecular formula C12H24O2Sn and a molecular weight of 319.03 g/mol. Its IUPAC name is λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate.

Molecular Properties

Compound Nameλ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate
PubChem CID174493428
Molecular FormulaC12H24O2Sn
Molecular Weight319.03 g/mol
Exact Mass320.08
IUPAC Nameλ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate
SMILESCC(C)C=C(C(=O)OC(C)C)C(C)C.[SnH2]
InChIInChI=1S/C12H22O2.Sn.2H/c1-8(2)7-11(9(3)4)12(13)14-10(5)6;;;/h7-10H,1-6H3;;;
InChIKeyNBZWZRVWVRYQQX-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.03
LogP ≤ 52.26
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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Related Compounds

N,4-dimethyl-2-propan-2-ylpent-2-enamide
CID 174511197
(Z)-4-methyl-2-propan-2-yl-3-propan-2-yloxycarbonylpent-2-enoic acid
CID 174639148
propan-2-yl 2,4-dimethyl-3-propan-2-ylpent-2-enoate
CID 88632004
propan-2-yl 2-methylprop-2-enoate
CID 146421311
propan-2-yl (Z)-2-hydroxy-5,5-dimethyl-4-oxohex-2-enoate
CID 101400932
dipropan-2-yl (E)-4-oxopent-2-enedioate
CID 70676166
methyl (E)-2-bromo-4-methylpent-2-enoate
CID 102238346
propan-2-yl 2-imino-3-methylbutanoate
CID 90949713
(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enoic acid
CID 139788321
dipropan-2-yl 2-(2,2-dimethylpropylidene)propanedioate
CID 134607603
propan-2-yl 4-oxobut-2-enoate
CID 86106379
2,5-dimethylhex-3-en-3-yl 2-methylprop-2-enoate
CID 91265593

Frequently Asked Questions

What is the IUPAC name of λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate?
The IUPAC name of λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate (CID 174493428) is λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate.
What is the SMILES notation for λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate?
The canonical SMILES for λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate is CC(C)C=C(C(=O)OC(C)C)C(C)C.[SnH2].
What is the InChIKey of λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate?
The InChIKey is NBZWZRVWVRYQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.Sn.2H/c1-8(2)7-11(9(3)4)12(13)14-10(5)6;;;/h7-10H,1-6H3;;;.
What are the key properties of λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate?
λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate has a molecular weight of 319.03 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-stannane;propan-2-yl 4-methyl-2-propan-2-ylpent-2-enoate is sourced from PubChem (CID 174493428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).