(3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene

C14H22 — CID 142088084

IUPAC(3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene
SMILESC=C/C=C(\C=C)CC(C)(C)C/C=C/C
InChIInChI=1S/C14H22/c1-6-9-11-14(4,5)12-13(8-3)10-7-2/h6-10H,2-3,11-12H2,1,4-5H3/b9-6+,13-10+
InChIKeyHDKNNSRYRSTXTL-DEKJKZHBSA-N
MW190.33 g/mol
LogP4.67
Rot. Bonds6

About (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene

(3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene (PubChem CID 142088084) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene.

Molecular Properties

Compound Name(3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene
PubChem CID142088084
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene
SMILESC=C/C=C(\C=C)CC(C)(C)C/C=C/C
InChIInChI=1S/C14H22/c1-6-9-11-14(4,5)12-13(8-3)10-7-2/h6-10H,2-3,11-12H2,1,4-5H3/b9-6+,13-10+
InChIKeyHDKNNSRYRSTXTL-DEKJKZHBSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.67
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

(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
3,3-dimethylhept-5-enoic acid
CID 91004429
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
(6E)-4,4-dimethylnona-6,8-dien-2-one
CID 12576362
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416
(E)-3-ethenyl-4,4-dimethyloct-6-en-2-one
CID 88713054
4,7-diethyl-4,5,7,10,10-pentamethyltetradeca-1,12-dien-3-one
CID 123947721
(3Z)-4-ethenyl-7-iodoocta-1,3-diene
CID 142018025

Frequently Asked Questions

What is the IUPAC name of (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene?
The IUPAC name of (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene (CID 142088084) is (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene.
What is the SMILES notation for (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene?
The canonical SMILES for (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene is C=C/C=C(\C=C)CC(C)(C)C/C=C/C.
What is the InChIKey of (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene?
The InChIKey is HDKNNSRYRSTXTL-DEKJKZHBSA-N. The full InChI is InChI=1S/C14H22/c1-6-9-11-14(4,5)12-13(8-3)10-7-2/h6-10H,2-3,11-12H2,1,4-5H3/b9-6+,13-10+.
What are the key properties of (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene?
(3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene has a molecular weight of 190.33 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene is sourced from PubChem (CID 142088084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).