2,6,7,7,8-pentamethylundeca-1,10-diene

C16H30 — CID 90721351

IUPAC2,6,7,7,8-pentamethylundeca-1,10-diene
SMILESC=CCC(C)C(C)(C)C(C)CCCC(=C)C
InChIInChI=1S/C16H30/c1-8-10-14(4)16(6,7)15(5)12-9-11-13(2)3/h8,14-15H,1-2,9-12H2,3-7H3
InChIKeyUYBCOBLPHNGIMB-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.61
Rot. Bonds8

About 2,6,7,7,8-pentamethylundeca-1,10-diene

2,6,7,7,8-pentamethylundeca-1,10-diene (PubChem CID 90721351) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2,6,7,7,8-pentamethylundeca-1,10-diene.

Molecular Properties

Compound Name2,6,7,7,8-pentamethylundeca-1,10-diene
PubChem CID90721351
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2,6,7,7,8-pentamethylundeca-1,10-diene
SMILESC=CCC(C)C(C)(C)C(C)CCCC(=C)C
InChIInChI=1S/C16H30/c1-8-10-14(4)16(6,7)15(5)12-9-11-13(2)3/h8,14-15H,1-2,9-12H2,3-7H3
InChIKeyUYBCOBLPHNGIMB-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Beta-Elemene
CID 6918391
Elemene
CID 12309449
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
CID 10583
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Neophytadiene
CID 10446
Elemene, delta
CID 145925530
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-
CID 9859094
(-)-cis-beta-Elemene
CID 6431151
1-Decene, dimer
CID 22833390
8-Methyldec-1-ene
CID 521957
3,4-Dimethyl-1-decene
CID 545635
Npc144186
CID 6429151

Frequently Asked Questions

What is the IUPAC name of 2,6,7,7,8-pentamethylundeca-1,10-diene?
The IUPAC name of 2,6,7,7,8-pentamethylundeca-1,10-diene (CID 90721351) is 2,6,7,7,8-pentamethylundeca-1,10-diene.
What is the SMILES notation for 2,6,7,7,8-pentamethylundeca-1,10-diene?
The canonical SMILES for 2,6,7,7,8-pentamethylundeca-1,10-diene is C=CCC(C)C(C)(C)C(C)CCCC(=C)C.
What is the InChIKey of 2,6,7,7,8-pentamethylundeca-1,10-diene?
The InChIKey is UYBCOBLPHNGIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-8-10-14(4)16(6,7)15(5)12-9-11-13(2)3/h8,14-15H,1-2,9-12H2,3-7H3.
What are the key properties of 2,6,7,7,8-pentamethylundeca-1,10-diene?
2,6,7,7,8-pentamethylundeca-1,10-diene has a molecular weight of 222.42 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,7,8-pentamethylundeca-1,10-diene is sourced from PubChem (CID 90721351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).