(E)-2,2,5,9,13-pentamethyltetradec-4-ene

C19H38 — CID 58883085

IUPAC(E)-2,2,5,9,13-pentamethyltetradec-4-ene
SMILESC/C(=C\CC(C)(C)C)CCCC(C)CCCC(C)C
InChIInChI=1S/C19H38/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7/h14,16-17H,8-13,15H2,1-7H3/b18-14+
InChIKeyNNRWSFUJJRNKEX-NBVRZTHBSA-N
MW266.51 g/mol
LogP7.00
Rot. Bonds9

About (E)-2,2,5,9,13-pentamethyltetradec-4-ene

(E)-2,2,5,9,13-pentamethyltetradec-4-ene (PubChem CID 58883085) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is (E)-2,2,5,9,13-pentamethyltetradec-4-ene.

Molecular Properties

Compound Name(E)-2,2,5,9,13-pentamethyltetradec-4-ene
PubChem CID58883085
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name(E)-2,2,5,9,13-pentamethyltetradec-4-ene
SMILESC/C(=C\CC(C)(C)C)CCCC(C)CCCC(C)C
InChIInChI=1S/C19H38/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7/h14,16-17H,8-13,15H2,1-7H3/b18-14+
InChIKeyNNRWSFUJJRNKEX-NBVRZTHBSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.00
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

(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
CID 160640482
CID 160640482
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
(E)-4,8,12-trimethyltridec-3-enenitrile
CID 88939328
(E)-2,6,10-trimethylundec-1-ene-1-thiol
CID 25254254
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,5,9,13-pentamethyltetradec-4-ene?
The IUPAC name of (E)-2,2,5,9,13-pentamethyltetradec-4-ene (CID 58883085) is (E)-2,2,5,9,13-pentamethyltetradec-4-ene.
What is the SMILES notation for (E)-2,2,5,9,13-pentamethyltetradec-4-ene?
The canonical SMILES for (E)-2,2,5,9,13-pentamethyltetradec-4-ene is C/C(=C\CC(C)(C)C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-2,2,5,9,13-pentamethyltetradec-4-ene?
The InChIKey is NNRWSFUJJRNKEX-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H38/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7/h14,16-17H,8-13,15H2,1-7H3/b18-14+.
What are the key properties of (E)-2,2,5,9,13-pentamethyltetradec-4-ene?
(E)-2,2,5,9,13-pentamethyltetradec-4-ene has a molecular weight of 266.51 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,5,9,13-pentamethyltetradec-4-ene is sourced from PubChem (CID 58883085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).