(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene

C14H22 — CID 11106169

IUPAC(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C/[C@@H](C)[C@@H](C)/C=C/C(=C)C
InChIInChI=1S/C14H22/c1-11(2)7-9-13(5)14(6)10-8-12(3)4/h7-10,13-14H,1,3H2,2,4-6H3/b9-7+,10-8+/t13-,14+
InChIKeyMVUFVUGDHNUBMH-CLAZGFPFSA-N
MW190.33 g/mol
LogP4.52
Rot. Bonds5

About (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene

(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene (PubChem CID 11106169) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
PubChem CID11106169
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C/[C@@H](C)[C@@H](C)/C=C/C(=C)C
InChIInChI=1S/C14H22/c1-11(2)7-9-13(5)14(6)10-8-12(3)4/h7-10,13-14H,1,3H2,2,4-6H3/b9-7+,10-8+/t13-,14+
InChIKeyMVUFVUGDHNUBMH-CLAZGFPFSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.52
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

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CID 144587604
6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
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(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
dimethyl 2-methyl-2-[(3Z)-5-methylhexa-3,5-dien-2-yl]propanedioate
CID 11728609
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane
CID 143550597
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane
CID 142206747
(7E)-4,9-dimethyldeca-7,9-diene-1,6-diol
CID 14805466
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150

Frequently Asked Questions

What is the IUPAC name of (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene?
The IUPAC name of (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene (CID 11106169) is (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene.
What is the SMILES notation for (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene?
The canonical SMILES for (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene is C=C(C)/C=C/[C@@H](C)[C@@H](C)/C=C/C(=C)C.
What is the InChIKey of (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene?
The InChIKey is MVUFVUGDHNUBMH-CLAZGFPFSA-N. The full InChI is InChI=1S/C14H22/c1-11(2)7-9-13(5)14(6)10-8-12(3)4/h7-10,13-14H,1,3H2,2,4-6H3/b9-7+,10-8+/t13-,14+.
What are the key properties of (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene?
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene has a molecular weight of 190.33 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene is sourced from PubChem (CID 11106169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).