(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene

C15H26 — CID 15276139

IUPAC(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
SMILESC/C=C(C)\C=C\C[C@H](C)CCC=C(C)C
InChIInChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6-/t15-/m1/s1
InChIKeyGIBJEWOSWWYJSK-VPHKHRPNSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds6

About (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene

(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene (PubChem CID 15276139) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene.

Molecular Properties

Compound Name(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
PubChem CID15276139
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
SMILESC/C=C(C)\C=C\C[C@H](C)CCC=C(C)C
InChIInChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6-/t15-/m1/s1
InChIKeyGIBJEWOSWWYJSK-VPHKHRPNSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
alpha-PHELLANDRENE
CID 7460
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
alpha-PHELLANDRENE, (-)-
CID 442482
Dihydromyrcene
CID 17090
Germacrene D
CID 5317570
(+)-alpha-Phellandrene
CID 443160
alpha-Bisabolene
CID 86597
Dihydromyrcene, (+)-
CID 10887985

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene?
The IUPAC name of (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene (CID 15276139) is (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene.
What is the SMILES notation for (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene?
The canonical SMILES for (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene is C/C=C(C)\C=C\C[C@H](C)CCC=C(C)C.
What is the InChIKey of (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene?
The InChIKey is GIBJEWOSWWYJSK-VPHKHRPNSA-N. The full InChI is InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6-/t15-/m1/s1.
What are the key properties of (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene?
(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene has a molecular weight of 206.37 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene is sourced from PubChem (CID 15276139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).