3,6,7,8-tetramethyl-8-propan-2-ylundecane

C18H38 — CID 91132457

IUPAC3,6,7,8-tetramethyl-8-propan-2-ylundecane
SMILESCCCC(C)(C(C)C)C(C)C(C)CCC(C)CC
InChIInChI=1S/C18H38/c1-9-13-18(8,14(3)4)17(7)16(6)12-11-15(5)10-2/h14-17H,9-13H2,1-8H3
InChIKeyJUIFYSJVADJHRR-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds9

About 3,6,7,8-tetramethyl-8-propan-2-ylundecane

3,6,7,8-tetramethyl-8-propan-2-ylundecane (PubChem CID 91132457) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 3,6,7,8-tetramethyl-8-propan-2-ylundecane.

Molecular Properties

Compound Name3,6,7,8-tetramethyl-8-propan-2-ylundecane
PubChem CID91132457
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name3,6,7,8-tetramethyl-8-propan-2-ylundecane
SMILESCCCC(C)(C(C)C)C(C)C(C)CCC(C)CC
InChIInChI=1S/C18H38/c1-9-13-18(8,14(3)4)17(7)16(6)12-11-15(5)10-2/h14-17H,9-13H2,1-8H3
InChIKeyJUIFYSJVADJHRR-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetramethyl-8-propan-2-ylundecane?
The IUPAC name of 3,6,7,8-tetramethyl-8-propan-2-ylundecane (CID 91132457) is 3,6,7,8-tetramethyl-8-propan-2-ylundecane.
What is the SMILES notation for 3,6,7,8-tetramethyl-8-propan-2-ylundecane?
The canonical SMILES for 3,6,7,8-tetramethyl-8-propan-2-ylundecane is CCCC(C)(C(C)C)C(C)C(C)CCC(C)CC.
What is the InChIKey of 3,6,7,8-tetramethyl-8-propan-2-ylundecane?
The InChIKey is JUIFYSJVADJHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-9-13-18(8,14(3)4)17(7)16(6)12-11-15(5)10-2/h14-17H,9-13H2,1-8H3.
What are the key properties of 3,6,7,8-tetramethyl-8-propan-2-ylundecane?
3,6,7,8-tetramethyl-8-propan-2-ylundecane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetramethyl-8-propan-2-ylundecane is sourced from PubChem (CID 91132457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).