9,10-dimethyl-11-methylidene-10-octylnonadecane

C30H60 — CID 10916798

IUPAC9,10-dimethyl-11-methylidene-10-octylnonadecane
SMILESC=C(CCCCCCCC)C(C)(CCCCCCCC)C(C)CCCCCCCC
InChIInChI=1S/C30H60/c1-7-10-13-16-19-22-25-28(4)30(6,27-24-21-18-15-12-9-3)29(5)26-23-20-17-14-11-8-2/h29H,4,7-27H2,1-3,5-6H3
InChIKeyTZUTXTHWGNXPGN-UHFFFAOYSA-N
MW420.81 g/mol
LogP11.44
Rot. Bonds23

About 9,10-dimethyl-11-methylidene-10-octylnonadecane

9,10-dimethyl-11-methylidene-10-octylnonadecane (PubChem CID 10916798) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is 9,10-dimethyl-11-methylidene-10-octylnonadecane.

Molecular Properties

Compound Name9,10-dimethyl-11-methylidene-10-octylnonadecane
PubChem CID10916798
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name9,10-dimethyl-11-methylidene-10-octylnonadecane
SMILESC=C(CCCCCCCC)C(C)(CCCCCCCC)C(C)CCCCCCCC
InChIInChI=1S/C30H60/c1-7-10-13-16-19-22-25-28(4)30(6,27-24-21-18-15-12-9-3)29(5)26-23-20-17-14-11-8-2/h29H,4,7-27H2,1-3,5-6H3
InChIKeyTZUTXTHWGNXPGN-UHFFFAOYSA-N
XLogP11.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 511.44
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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Related Compounds

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2,2,3-trimethylundecane
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CID 118467610
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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-11-methylidene-10-octylnonadecane?
The IUPAC name of 9,10-dimethyl-11-methylidene-10-octylnonadecane (CID 10916798) is 9,10-dimethyl-11-methylidene-10-octylnonadecane.
What is the SMILES notation for 9,10-dimethyl-11-methylidene-10-octylnonadecane?
The canonical SMILES for 9,10-dimethyl-11-methylidene-10-octylnonadecane is C=C(CCCCCCCC)C(C)(CCCCCCCC)C(C)CCCCCCCC.
What is the InChIKey of 9,10-dimethyl-11-methylidene-10-octylnonadecane?
The InChIKey is TZUTXTHWGNXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60/c1-7-10-13-16-19-22-25-28(4)30(6,27-24-21-18-15-12-9-3)29(5)26-23-20-17-14-11-8-2/h29H,4,7-27H2,1-3,5-6H3.
What are the key properties of 9,10-dimethyl-11-methylidene-10-octylnonadecane?
9,10-dimethyl-11-methylidene-10-octylnonadecane has a molecular weight of 420.81 g/mol, XLogP of 11.44, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-11-methylidene-10-octylnonadecane is sourced from PubChem (CID 10916798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).