(1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene

C15H24 — CID 101349815

IUPAC(1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene
SMILESC/C1=C/CC/C(C)=C\C(C)(C)/C=C\CC1
InChIInChI=1S/C15H24/c1-13-8-5-6-11-15(3,4)12-14(2)10-7-9-13/h6,9,11-12H,5,7-8,10H2,1-4H3/b11-6-,13-9-,14-12-
InChIKeyRTIZXJCGCGLKCH-JGKOJNDLSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds

About (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene

(1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene (PubChem CID 101349815) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene.

Molecular Properties

Compound Name(1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene
PubChem CID101349815
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene
SMILESC/C1=C/CC/C(C)=C\C(C)(C)/C=C\CC1
InChIInChI=1S/C15H24/c1-13-8-5-6-11-15(3,4)12-14(2)10-7-9-13/h6,9,11-12H,5,7-8,10H2,1-4H3/b11-6-,13-9-,14-12-
InChIKeyRTIZXJCGCGLKCH-JGKOJNDLSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Myrcene
CID 31253
Squalene
CID 638072
Humulene
CID 5281520
Farnesene
CID 5281516
2-Octene
CID 5364448
beta-Farnesene
CID 5281517
2,4,4-Trimethyl-2-pentene
CID 7869
Dihydromyrcene
CID 17090
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Dihydromyrcene, (+)-
CID 10887985
trans-5-Decene
CID 637820
cis-2-Octene
CID 5356796

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene?
The IUPAC name of (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene (CID 101349815) is (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene.
What is the SMILES notation for (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene?
The canonical SMILES for (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene is C/C1=C/CC/C(C)=C\C(C)(C)/C=C\CC1.
What is the InChIKey of (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene?
The InChIKey is RTIZXJCGCGLKCH-JGKOJNDLSA-N. The full InChI is InChI=1S/C15H24/c1-13-8-5-6-11-15(3,4)12-14(2)10-7-9-13/h6,9,11-12H,5,7-8,10H2,1-4H3/b11-6-,13-9-,14-12-.
What are the key properties of (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene?
(1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene is sourced from PubChem (CID 101349815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).