benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane

C73H140O5Si — CID 165020943

IUPACbenzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane
SMILESC=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)Cc1ccccc1.CC(C)(C)[Si](C)(C)C(C)(C)C.CCC(C)(C)C
InChIInChI=1S/C12H16O2.C11H16.C10H24Si.C8H14O2.C8H18.C7H14.C6H12O.C6H14.C5H12/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)11(7,8)10(4,5)6;1-5-6-10-7(9)8(2,3)4;1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-5-6(2,3)4;1-5(2,3)4/h4-8H,9H2,1-3H3;4-8H,9H2,1-3H3;1-8H3;5H,1,6H2,2-4H3;1-6H3;5H,1,6H2,2-4H3;1-4H3;5H2,1-4H3;1-4H3
InChIKeyLDNYKXSWKRCAOS-UHFFFAOYSA-N
MW1126.00 g/mol
LogP23.91
Rot. Bonds6

About benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane

benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane (PubChem CID 165020943) has the molecular formula C73H140O5Si and a molecular weight of 1126.00 g/mol. Its IUPAC name is benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Namebenzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane
PubChem CID165020943
Molecular FormulaC73H140O5Si
Molecular Weight1126.00 g/mol
Exact Mass1125.05
IUPAC Namebenzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane
SMILESC=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)Cc1ccccc1.CC(C)(C)[Si](C)(C)C(C)(C)C.CCC(C)(C)C
InChIInChI=1S/C12H16O2.C11H16.C10H24Si.C8H14O2.C8H18.C7H14.C6H12O.C6H14.C5H12/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)11(7,8)10(4,5)6;1-5-6-10-7(9)8(2,3)4;1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-5-6(2,3)4;1-5(2,3)4/h4-8H,9H2,1-3H3;4-8H,9H2,1-3H3;1-8H3;5H,1,6H2,2-4H3;1-6H3;5H,1,6H2,2-4H3;1-4H3;5H2,1-4H3;1-4H3
InChIKeyLDNYKXSWKRCAOS-UHFFFAOYSA-N
XLogP23.91
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.00
LogP ≤ 523.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane?
The IUPAC name of benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane (CID 165020943) is benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane.
What is the SMILES notation for benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane?
The canonical SMILES for benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane is C=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)Cc1ccccc1.CC(C)(C)[Si](C)(C)C(C)(C)C.CCC(C)(C)C.
What is the InChIKey of benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane?
The InChIKey is LDNYKXSWKRCAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C11H16.C10H24Si.C8H14O2.C8H18.C7H14.C6H12O.C6H14.C5H12/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)11(7,8)10(4,5)6;1-5-6-10-7(9)8(2,3)4;1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-5-6(2,3)4;1-5(2,3)4/h4-8H,9H2,1-3H3;4-8H,9H2,1-3H3;1-8H3;5H,1,6H2,2-4H3;1-6H3;5H,1,6H2,2-4H3;1-4H3;5H2,1-4H3;1-4H3.
What are the key properties of benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane?
benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane has a molecular weight of 1126.00 g/mol, XLogP of 23.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dimethylpropanoate;ditert-butyl(dimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;4,4-dimethylpent-1-ene;2,2-dimethylpropane;2,2-dimethylpropylbenzene;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 165020943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).