3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne

C16H26 — CID 139252759

IUPAC3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne
SMILESC#CC(C)C(C)C(=C)C(C)C(C)C(C)C=C
InChIInChI=1S/C16H26/c1-9-11(3)13(5)15(7)16(8)14(6)12(4)10-2/h1,10-14,16H,2,7H2,3-6,8H3
InChIKeyGHDUBTGELAUAHU-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.54
Rot. Bonds6

About 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne

3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne (PubChem CID 139252759) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne.

Molecular Properties

Compound Name3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne
PubChem CID139252759
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne
SMILESC#CC(C)C(C)C(=C)C(C)C(C)C(C)C=C
InChIInChI=1S/C16H26/c1-9-11(3)13(5)15(7)16(8)14(6)12(4)10-2/h1,10-14,16H,2,7H2,3-6,8H3
InChIKeyGHDUBTGELAUAHU-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne?
The IUPAC name of 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne (CID 139252759) is 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne.
What is the SMILES notation for 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne?
The canonical SMILES for 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne is C#CC(C)C(C)C(=C)C(C)C(C)C(C)C=C.
What is the InChIKey of 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne?
The InChIKey is GHDUBTGELAUAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-9-11(3)13(5)15(7)16(8)14(6)12(4)10-2/h1,10-14,16H,2,7H2,3-6,8H3.
What are the key properties of 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne?
3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne has a molecular weight of 218.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7,8-pentamethyl-6-methylidenedec-1-en-9-yne is sourced from PubChem (CID 139252759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).