(3Z)-4-ethenyl-6-methylocta-1,3,7-triene

C11H16 — CID 145342446

IUPAC(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
SMILESC=C/C=C(\C=C)CC(C)C=C
InChIInChI=1S/C11H16/c1-5-8-11(7-3)9-10(4)6-2/h5-8,10H,1-3,9H2,4H3/b11-8+
InChIKeyWYVLGQMGTMOIRZ-DHZHZOJOSA-N
MW148.25 g/mol
LogP3.50
Rot. Bonds5

About (3Z)-4-ethenyl-6-methylocta-1,3,7-triene

(3Z)-4-ethenyl-6-methylocta-1,3,7-triene (PubChem CID 145342446) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (3Z)-4-ethenyl-6-methylocta-1,3,7-triene.

Molecular Properties

Compound Name(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
PubChem CID145342446
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
SMILESC=C/C=C(\C=C)CC(C)C=C
InChIInChI=1S/C11H16/c1-5-8-11(7-3)9-10(4)6-2/h5-8,10H,1-3,9H2,4H3/b11-8+
InChIKeyWYVLGQMGTMOIRZ-DHZHZOJOSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.50
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)-3-ethylhexa-1,3,5-triene
CID 22044475
(4Z)-2-amino-4-ethenylhepta-4,6-dienal;ethane
CID 142945417
(3Z)-4-ethenyl-7-iodoocta-1,3-diene
CID 142018025
[(2E)-2-ethenylpenta-2,4-dienyl] 3-methylbutanoate
CID 164591650
[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene
CID 144577995
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
3,6-dimethyl-5-methylidenehept-1-ene
CID 91477493
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
CID 177245835
(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
CID 144506280
tert-butyl N-[(4Z)-4-ethenylhepta-4,6-dien-2-yl]carbamate;formic acid
CID 156652796
(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
CID 134400841

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-6-methylocta-1,3,7-triene?
The IUPAC name of (3Z)-4-ethenyl-6-methylocta-1,3,7-triene (CID 145342446) is (3Z)-4-ethenyl-6-methylocta-1,3,7-triene.
What is the SMILES notation for (3Z)-4-ethenyl-6-methylocta-1,3,7-triene?
The canonical SMILES for (3Z)-4-ethenyl-6-methylocta-1,3,7-triene is C=C/C=C(\C=C)CC(C)C=C.
What is the InChIKey of (3Z)-4-ethenyl-6-methylocta-1,3,7-triene?
The InChIKey is WYVLGQMGTMOIRZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H16/c1-5-8-11(7-3)9-10(4)6-2/h5-8,10H,1-3,9H2,4H3/b11-8+.
What are the key properties of (3Z)-4-ethenyl-6-methylocta-1,3,7-triene?
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene has a molecular weight of 148.25 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-6-methylocta-1,3,7-triene is sourced from PubChem (CID 145342446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).