(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene

C14H20 — CID 164855515

IUPAC(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
SMILESC=C/C(=C\C)C(=C)/C(C)=C(/C)C(=C)C
InChIInChI=1S/C14H20/c1-8-14(9-2)13(7)12(6)11(5)10(3)4/h8-9H,1,3,7H2,2,4-6H3/b12-11-,14-9+
InChIKeyHZORQPHVNQKIFL-LOTDVVOVSA-N
MW188.31 g/mol
LogP4.59
Rot. Bonds4

About (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene

(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene (PubChem CID 164855515) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene.

Molecular Properties

Compound Name(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
PubChem CID164855515
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
SMILESC=C/C(=C\C)C(=C)/C(C)=C(/C)C(=C)C
InChIInChI=1S/C14H20/c1-8-14(9-2)13(7)12(6)11(5)10(3)4/h8-9H,1,3,7H2,2,4-6H3/b12-11-,14-9+
InChIKeyHZORQPHVNQKIFL-LOTDVVOVSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.59
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

(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene
CID 144588079
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(3E,5E)-5-chloro-3-ethenyl-2-methylhepta-1,3,5-triene
CID 144627695
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
1-[(3E,6E)-6-ethenyl-5-ethylidene-2-methylocta-1,3,6-trien-3-yl]-1-fluorocyclopropane
CID 143763324
but-3-en-2-one;3-methylbut-3-en-2-one;prop-1-ene
CID 160787956

Frequently Asked Questions

What is the IUPAC name of (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene?
The IUPAC name of (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene (CID 164855515) is (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene.
What is the SMILES notation for (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene?
The canonical SMILES for (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene is C=C/C(=C\C)C(=C)/C(C)=C(/C)C(=C)C.
What is the InChIKey of (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene?
The InChIKey is HZORQPHVNQKIFL-LOTDVVOVSA-N. The full InChI is InChI=1S/C14H20/c1-8-14(9-2)13(7)12(6)11(5)10(3)4/h8-9H,1,3,7H2,2,4-6H3/b12-11-,14-9+.
What are the key properties of (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene?
(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene has a molecular weight of 188.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene is sourced from PubChem (CID 164855515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).