ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene

C26H58 — CID 176715195

IUPACethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene
SMILESC.C.C.C=C(C)CC(=C)C(C)C(C)CCCCCCCCCCC.CC
InChIInChI=1S/C21H40.C2H6.3CH4/c1-7-8-9-10-11-12-13-14-15-16-19(4)21(6)20(5)17-18(2)3;1-2;;;/h19,21H,2,5,7-17H2,1,3-4,6H3;1-2H3;3*1H4
InChIKeyKTYCNPSDEDTCDO-UHFFFAOYSA-N
MW370.75 g/mol
LogP10.64
Rot. Bonds14

About ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene

ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene (PubChem CID 176715195) has the molecular formula C26H58 and a molecular weight of 370.75 g/mol. Its IUPAC name is ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene.

Molecular Properties

Compound Nameethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene
PubChem CID176715195
Molecular FormulaC26H58
Molecular Weight370.75 g/mol
Exact Mass370.45
IUPAC Nameethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene
SMILESC.C.C.C=C(C)CC(=C)C(C)C(C)CCCCCCCCCCC.CC
InChIInChI=1S/C21H40.C2H6.3CH4/c1-7-8-9-10-11-12-13-14-15-16-19(4)21(6)20(5)17-18(2)3;1-2;;;/h19,21H,2,5,7-17H2,1,3-4,6H3;1-2H3;3*1H4
InChIKeyKTYCNPSDEDTCDO-UHFFFAOYSA-N
XLogP10.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.75
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene?
The IUPAC name of ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene (CID 176715195) is ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene.
What is the SMILES notation for ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene?
The canonical SMILES for ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene is C.C.C.C=C(C)CC(=C)C(C)C(C)CCCCCCCCCCC.CC.
What is the InChIKey of ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene?
The InChIKey is KTYCNPSDEDTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40.C2H6.3CH4/c1-7-8-9-10-11-12-13-14-15-16-19(4)21(6)20(5)17-18(2)3;1-2;;;/h19,21H,2,5,7-17H2,1,3-4,6H3;1-2H3;3*1H4.
What are the key properties of ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene?
ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene has a molecular weight of 370.75 g/mol, XLogP of 10.64, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene is sourced from PubChem (CID 176715195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).