3,7,10-trimethylundec-3-ene

C14H28 — CID 91082560

IUPAC3,7,10-trimethylundec-3-ene
SMILESCCC(C)=CCCC(C)CCC(C)C
InChIInChI=1S/C14H28/c1-6-13(4)8-7-9-14(5)11-10-12(2)3/h8,12,14H,6-7,9-11H2,1-5H3
InChIKeyNJFWWAWYPOANAH-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds7

About 3,7,10-trimethylundec-3-ene

3,7,10-trimethylundec-3-ene (PubChem CID 91082560) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 3,7,10-trimethylundec-3-ene.

Molecular Properties

Compound Name3,7,10-trimethylundec-3-ene
PubChem CID91082560
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name3,7,10-trimethylundec-3-ene
SMILESCCC(C)=CCCC(C)CCC(C)C
InChIInChI=1S/C14H28/c1-6-13(4)8-7-9-14(5)11-10-12(2)3/h8,12,14H,6-7,9-11H2,1-5H3
InChIKeyNJFWWAWYPOANAH-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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

(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
6,10-dimethyldodeca-5,9-dien-2-ol
CID 76600828
(E,3S)-7-methylnon-6-en-3-ol
CID 14103265
2,6,10-trimethylundec-2-ene
CID 14805750
(Z)-1-chloro-2,6-dimethylhept-2-ene
CID 59072785
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
CID 23553717

Frequently Asked Questions

What is the IUPAC name of 3,7,10-trimethylundec-3-ene?
The IUPAC name of 3,7,10-trimethylundec-3-ene (CID 91082560) is 3,7,10-trimethylundec-3-ene.
What is the SMILES notation for 3,7,10-trimethylundec-3-ene?
The canonical SMILES for 3,7,10-trimethylundec-3-ene is CCC(C)=CCCC(C)CCC(C)C.
What is the InChIKey of 3,7,10-trimethylundec-3-ene?
The InChIKey is NJFWWAWYPOANAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-13(4)8-7-9-14(5)11-10-12(2)3/h8,12,14H,6-7,9-11H2,1-5H3.
What are the key properties of 3,7,10-trimethylundec-3-ene?
3,7,10-trimethylundec-3-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10-trimethylundec-3-ene is sourced from PubChem (CID 91082560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).