2,2,4,4,7,7,9,9-octamethyldec-5-ene

C18H36 — CID 90796396

IUPAC2,2,4,4,7,7,9,9-octamethyldec-5-ene
SMILESCC(C)(C)CC(C)(C)C=CC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H36/c1-15(2,3)13-17(7,8)11-12-18(9,10)14-16(4,5)6/h11-12H,13-14H2,1-10H3
InChIKeyAENCIPYWPDOKBN-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.47
Rot. Bonds4

About 2,2,4,4,7,7,9,9-octamethyldec-5-ene

2,2,4,4,7,7,9,9-octamethyldec-5-ene (PubChem CID 90796396) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2,2,4,4,7,7,9,9-octamethyldec-5-ene.

Molecular Properties

Compound Name2,2,4,4,7,7,9,9-octamethyldec-5-ene
PubChem CID90796396
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2,2,4,4,7,7,9,9-octamethyldec-5-ene
SMILESCC(C)(C)CC(C)(C)C=CC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H36/c1-15(2,3)13-17(7,8)11-12-18(9,10)14-16(4,5)6/h11-12H,13-14H2,1-10H3
InChIKeyAENCIPYWPDOKBN-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.47
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 2,2,4,4,7,7,9,9-octamethyldec-5-ene?
The IUPAC name of 2,2,4,4,7,7,9,9-octamethyldec-5-ene (CID 90796396) is 2,2,4,4,7,7,9,9-octamethyldec-5-ene.
What is the SMILES notation for 2,2,4,4,7,7,9,9-octamethyldec-5-ene?
The canonical SMILES for 2,2,4,4,7,7,9,9-octamethyldec-5-ene is CC(C)(C)CC(C)(C)C=CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4,7,7,9,9-octamethyldec-5-ene?
The InChIKey is AENCIPYWPDOKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-15(2,3)13-17(7,8)11-12-18(9,10)14-16(4,5)6/h11-12H,13-14H2,1-10H3.
What are the key properties of 2,2,4,4,7,7,9,9-octamethyldec-5-ene?
2,2,4,4,7,7,9,9-octamethyldec-5-ene has a molecular weight of 252.49 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7,9,9-octamethyldec-5-ene is sourced from PubChem (CID 90796396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).