(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene

C13H20 — CID 143275541

IUPAC(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
SMILESC=C(C)/C=C\C=C/CCC=C(C)C
InChIInChI=1S/C13H20/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-6,8,10-11H,1,7,9H2,2-4H3/b6-5-,10-8-
InChIKeyCWNWLHLAJWFTPU-XUTLIFGGSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds5

About (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene

(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene (PubChem CID 143275541) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene.

Molecular Properties

Compound Name(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
PubChem CID143275541
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
SMILESC=C(C)/C=C\C=C/CCC=C(C)C
InChIInChI=1S/C13H20/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-6,8,10-11H,1,7,9H2,2-4H3/b6-5-,10-8-
InChIKeyCWNWLHLAJWFTPU-XUTLIFGGSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-8-methylnona-1,3,7-triene
CID 16752433
(6Z,8Z)-2,11-dimethyldodeca-2,6,8-triene
CID 165392440
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879
10-methylundeca-1,5,9-triene
CID 71330376
(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
CID 143035425
(3E,5E,9Z)-dodeca-1,3,5,9-tetraen-2-ol
CID 89135352
3,3-dimethyl-9,10-dihydro-8H-benzo[f]chromen-7-one;(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
CID 143275540
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(3E,5E,9Z)-2-iodododeca-1,3,5,9-tetraene
CID 89135344
2-methylhepta-1,3,5-triene
CID 54571604

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene?
The IUPAC name of (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene (CID 143275541) is (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene.
What is the SMILES notation for (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene?
The canonical SMILES for (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene is C=C(C)/C=C\C=C/CCC=C(C)C.
What is the InChIKey of (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene?
The InChIKey is CWNWLHLAJWFTPU-XUTLIFGGSA-N. The full InChI is InChI=1S/C13H20/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-6,8,10-11H,1,7,9H2,2-4H3/b6-5-,10-8-.
What are the key properties of (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene?
(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene is sourced from PubChem (CID 143275541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).