3,6,7,10-tetramethyldodec-1-ene

C16H32 — CID 143243689

IUPAC3,6,7,10-tetramethyldodec-1-ene
SMILESC=CC(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C16H32/c1-7-13(3)9-11-15(5)16(6)12-10-14(4)8-2/h7,13-16H,1,8-12H2,2-6H3
InChIKeyPHWGBDNWQMVRFB-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.69
Rot. Bonds9

About 3,6,7,10-tetramethyldodec-1-ene

3,6,7,10-tetramethyldodec-1-ene (PubChem CID 143243689) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 3,6,7,10-tetramethyldodec-1-ene.

Molecular Properties

Compound Name3,6,7,10-tetramethyldodec-1-ene
PubChem CID143243689
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name3,6,7,10-tetramethyldodec-1-ene
SMILESC=CC(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C16H32/c1-7-13(3)9-11-15(5)16(6)12-10-14(4)8-2/h7,13-16H,1,8-12H2,2-6H3
InChIKeyPHWGBDNWQMVRFB-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.69
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

3,6,7,10-tetramethylundec-1-ene
CID 123914302
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
3,6,8-trimethyldodec-1-ene
CID 123174555
3,6-dimethylhept-1-ene
CID 18443713
3,9-dimethylundeca-1,6-diene
CID 173245384
3,4,7,9,12-pentamethyltetradeca-1,7-diene
CID 123181478
3,6-dimethylhept-1-ene;ethane
CID 142076338
4-ethenyl-2,3,7-trimethylnonane
CID 91411047
3,5,6-trimethyloct-1-ene
CID 90839581
2,5-dimethylhept-6-enal
CID 88788284

Frequently Asked Questions

What is the IUPAC name of 3,6,7,10-tetramethyldodec-1-ene?
The IUPAC name of 3,6,7,10-tetramethyldodec-1-ene (CID 143243689) is 3,6,7,10-tetramethyldodec-1-ene.
What is the SMILES notation for 3,6,7,10-tetramethyldodec-1-ene?
The canonical SMILES for 3,6,7,10-tetramethyldodec-1-ene is C=CC(C)CCC(C)C(C)CCC(C)CC.
What is the InChIKey of 3,6,7,10-tetramethyldodec-1-ene?
The InChIKey is PHWGBDNWQMVRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-13(3)9-11-15(5)16(6)12-10-14(4)8-2/h7,13-16H,1,8-12H2,2-6H3.
What are the key properties of 3,6,7,10-tetramethyldodec-1-ene?
3,6,7,10-tetramethyldodec-1-ene has a molecular weight of 224.43 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,10-tetramethyldodec-1-ene is sourced from PubChem (CID 143243689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).