(2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene

C15H28 — CID 11063664

IUPAC(2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene
SMILESC/C=C(C)/C=C/C[C@@H](C)CCCC(C)C
InChIInChI=1S/C15H28/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8,10,13,15H,7,9,11-12H2,1-5H3/b10-8+,14-6+/t15-/m0/s1
InChIKeyQUFVBBANWSSNQF-RGUZAKIQSA-N
MW208.39 g/mol
LogP5.36
Rot. Bonds7

About (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene

(2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene (PubChem CID 11063664) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene.

Molecular Properties

Compound Name(2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene
PubChem CID11063664
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene
SMILESC/C=C(C)/C=C/C[C@@H](C)CCCC(C)C
InChIInChI=1S/C15H28/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8,10,13,15H,7,9,11-12H2,1-5H3/b10-8+,14-6+/t15-/m0/s1
InChIKeyQUFVBBANWSSNQF-RGUZAKIQSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
Beta-Bisabolene
CID 10104370
Elemene
CID 12309449
Germacrene D
CID 5317570
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Axerophthene
CID 5287722
(-)-beta-Phellandrene
CID 443161
Sesquiphellandrene
CID 519764
Isoterpinolene
CID 102443
delta-Selinene
CID 520383

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene?
The IUPAC name of (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene (CID 11063664) is (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene.
What is the SMILES notation for (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene?
The canonical SMILES for (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene is C/C=C(C)/C=C/C[C@@H](C)CCCC(C)C.
What is the InChIKey of (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene?
The InChIKey is QUFVBBANWSSNQF-RGUZAKIQSA-N. The full InChI is InChI=1S/C15H28/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8,10,13,15H,7,9,11-12H2,1-5H3/b10-8+,14-6+/t15-/m0/s1.
What are the key properties of (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene?
(2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene has a molecular weight of 208.39 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-diene is sourced from PubChem (CID 11063664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).