1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane

C101H207N — CID 162269358

IUPAC1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane
SMILESC.C.C.C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.CC(C)C(C)C(C(C)C)C(C(C)C)C(C)C(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.[C-]#[N+]CC(C)C
InChIInChI=1S/C18H38.3C18H32.C5H9N.4C5H12.4CH4/c4*1-11(2)15(9)17(13(5)6)18(14(7)8)16(10)12(3)4;1-5(2)4-6-3;4*1-4-5(2)3;;;;/h11-18H,1-10H3;3*12,15-18H,1,5,7H2,2-4,6,8-10H3;5H,4H2,1-2H3;4*5H,4H2,1-3H3;4*1H4
InChIKeySZDLRRZHLJYJNH-UHFFFAOYSA-N
MW1435.77 g/mol
LogP36.06
Rot. Bonds33

About 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane

1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane (PubChem CID 162269358) has the molecular formula C101H207N and a molecular weight of 1435.77 g/mol. Its IUPAC name is 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane.

Molecular Properties

Compound Name1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane
PubChem CID162269358
Molecular FormulaC101H207N
Molecular Weight1435.77 g/mol
Exact Mass1434.62
IUPAC Name1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane
SMILESC.C.C.C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.CC(C)C(C)C(C(C)C)C(C(C)C)C(C)C(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.[C-]#[N+]CC(C)C
InChIInChI=1S/C18H38.3C18H32.C5H9N.4C5H12.4CH4/c4*1-11(2)15(9)17(13(5)6)18(14(7)8)16(10)12(3)4;1-5(2)4-6-3;4*1-4-5(2)3;;;;/h11-18H,1-10H3;3*12,15-18H,1,5,7H2,2-4,6,8-10H3;5H,4H2,1-2H3;4*5H,4H2,1-3H3;4*1H4
InChIKeySZDLRRZHLJYJNH-UHFFFAOYSA-N
XLogP36.06
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001435.77
LogP ≤ 536.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane with MolForge

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Related Compounds

6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane
CID 142475680
7-(2-butylhexyl)-N,N,12-trimethyl-5-methylidene-8-(4-methylnonyl)heptadecan-1-amine
CID 154982181
7-hexyl-N,N-dimethyl-4-methylidene-6-(4-methylnonyl)pentadecan-1-amine
CID 154982185
N,N-dimethylpropan-1-amine;ethane;bis(9-ethylnonadecane);bis(2-methylpent-1-ene)
CID 163256976
N,N,18-trimethyl-12-methylidene-2-(16-methyl-10-methylidene-13-propan-2-ylheptadecyl)-15-propan-2-ylnonadecan-1-amine
CID 167038677
6-heptyl-N,N,18-trimethyl-4-methylidene-15-propan-2-ylnonadecan-1-amine
CID 167038844

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane?
The IUPAC name of 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane (CID 162269358) is 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane.
What is the SMILES notation for 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane?
The canonical SMILES for 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane is C.C.C.C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.C=C(C)C(C)C(C(=C)C)C(C(=C)C)C(C)C(C)C.CC(C)C(C)C(C(C)C)C(C(C)C)C(C)C(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.[C-]#[N+]CC(C)C.
What is the InChIKey of 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane?
The InChIKey is SZDLRRZHLJYJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.3C18H32.C5H9N.4C5H12.4CH4/c4*1-11(2)15(9)17(13(5)6)18(14(7)8)16(10)12(3)4;1-5(2)4-6-3;4*1-4-5(2)3;;;;/h11-18H,1-10H3;3*12,15-18H,1,5,7H2,2-4,6,8-10H3;5H,4H2,1-2H3;4*5H,4H2,1-3H3;4*1H4.
What are the key properties of 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane?
1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane has a molecular weight of 1435.77 g/mol, XLogP of 36.06, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-2-methylpropane;methane;tetrakis(2-methylbutane);tris(2,3,6,7-tetramethyl-4,5-bis(prop-1-en-2-yl)oct-1-ene);2,3,6,7-tetramethyl-4,5-di(propan-2-yl)octane is sourced from PubChem (CID 162269358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).