methane;hexakis(2-methylpent-1-ene)

C37H76 — CID 175346690

IUPACmethane;hexakis(2-methylpent-1-ene)
SMILESC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC
InChIInChI=1S/6C6H12.CH4/c6*1-4-5-6(2)3;/h6*2,4-5H2,1,3H3;1H4
InChIKeyDTLPOLXAUCAAFF-UHFFFAOYSA-N
MW521.02 g/mol
LogP14.81
Rot. Bonds12

About methane;hexakis(2-methylpent-1-ene)

methane;hexakis(2-methylpent-1-ene) (PubChem CID 175346690) has the molecular formula C37H76 and a molecular weight of 521.02 g/mol. Its IUPAC name is methane;hexakis(2-methylpent-1-ene).

Molecular Properties

Compound Namemethane;hexakis(2-methylpent-1-ene)
PubChem CID175346690
Molecular FormulaC37H76
Molecular Weight521.02 g/mol
Exact Mass520.59
IUPAC Namemethane;hexakis(2-methylpent-1-ene)
SMILESC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC
InChIInChI=1S/6C6H12.CH4/c6*1-4-5-6(2)3;/h6*2,4-5H2,1,3H3;1H4
InChIKeyDTLPOLXAUCAAFF-UHFFFAOYSA-N
XLogP14.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-methylpent-1-ene
CID 174251970
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
2-methylhex-1-ene
CID 158402499
cyclopentene;2-methylpent-1-ene
CID 158486939
methane;bis(2-methylbut-1-ene)
CID 160529780
dichloroplatinum;2,5-dimethylhexa-1,5-diene
CID 161462927
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2-methyl-4-methylidenehept-1-ene
CID 58948030
4,5-dimethylideneoctane
CID 13294231
ethane;2-methyloct-1-ene
CID 143077596
heptan-4-imine;2-methylprop-1-ene
CID 175527412

Frequently Asked Questions

What is the IUPAC name of methane;hexakis(2-methylpent-1-ene)?
The IUPAC name of methane;hexakis(2-methylpent-1-ene) (CID 175346690) is methane;hexakis(2-methylpent-1-ene).
What is the SMILES notation for methane;hexakis(2-methylpent-1-ene)?
The canonical SMILES for methane;hexakis(2-methylpent-1-ene) is C.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.C=C(C)CCC.
What is the InChIKey of methane;hexakis(2-methylpent-1-ene)?
The InChIKey is DTLPOLXAUCAAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H12.CH4/c6*1-4-5-6(2)3;/h6*2,4-5H2,1,3H3;1H4.
What are the key properties of methane;hexakis(2-methylpent-1-ene)?
methane;hexakis(2-methylpent-1-ene) has a molecular weight of 521.02 g/mol, XLogP of 14.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;hexakis(2-methylpent-1-ene) is sourced from PubChem (CID 175346690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).