3,3,5,5,9-pentamethyl-7-methylideneundecane

C17H34 — CID 91578929

IUPAC3,3,5,5,9-pentamethyl-7-methylideneundecane
SMILESC=C(CC(C)CC)CC(C)(C)CC(C)(C)CC
InChIInChI=1S/C17H34/c1-9-14(3)11-15(4)12-17(7,8)13-16(5,6)10-2/h14H,4,9-13H2,1-3,5-8H3
InChIKeyAUEHJYPPSBJFPP-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.22
Rot. Bonds8

About 3,3,5,5,9-pentamethyl-7-methylideneundecane

3,3,5,5,9-pentamethyl-7-methylideneundecane (PubChem CID 91578929) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 3,3,5,5,9-pentamethyl-7-methylideneundecane.

Molecular Properties

Compound Name3,3,5,5,9-pentamethyl-7-methylideneundecane
PubChem CID91578929
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name3,3,5,5,9-pentamethyl-7-methylideneundecane
SMILESC=C(CC(C)CC)CC(C)(C)CC(C)(C)CC
InChIInChI=1S/C17H34/c1-9-14(3)11-15(4)12-17(7,8)13-16(5,6)10-2/h14H,4,9-13H2,1-3,5-8H3
InChIKeyAUEHJYPPSBJFPP-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,9-pentamethyl-7-methylideneundecane?
The IUPAC name of 3,3,5,5,9-pentamethyl-7-methylideneundecane (CID 91578929) is 3,3,5,5,9-pentamethyl-7-methylideneundecane.
What is the SMILES notation for 3,3,5,5,9-pentamethyl-7-methylideneundecane?
The canonical SMILES for 3,3,5,5,9-pentamethyl-7-methylideneundecane is C=C(CC(C)CC)CC(C)(C)CC(C)(C)CC.
What is the InChIKey of 3,3,5,5,9-pentamethyl-7-methylideneundecane?
The InChIKey is AUEHJYPPSBJFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-9-14(3)11-15(4)12-17(7,8)13-16(5,6)10-2/h14H,4,9-13H2,1-3,5-8H3.
What are the key properties of 3,3,5,5,9-pentamethyl-7-methylideneundecane?
3,3,5,5,9-pentamethyl-7-methylideneundecane has a molecular weight of 238.46 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,9-pentamethyl-7-methylideneundecane is sourced from PubChem (CID 91578929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).