(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene

C13H20 — CID 144541052

IUPAC(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
SMILESC=C(C)C(=C/C(C)=C\C)/C(C)=C\C
InChIInChI=1S/C13H20/c1-7-11(5)9-13(10(3)4)12(6)8-2/h7-9H,3H2,1-2,4-6H3/b11-7-,12-8-,13-9-
InChIKeyUCQRUAJQVWNWPE-PFVBFNHDSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds3

About (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene

(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene (PubChem CID 144541052) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
PubChem CID144541052
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
SMILESC=C(C)C(=C/C(C)=C\C)/C(C)=C\C
InChIInChI=1S/C13H20/c1-7-11(5)9-13(10(3)4)12(6)8-2/h7-9H,3H2,1-2,4-6H3/b11-7-,12-8-,13-9-
InChIKeyUCQRUAJQVWNWPE-PFVBFNHDSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene with MolForge

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Related Compounds

2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
CID 153356652
(2E,4Z)-2-[(E)-but-2-en-2-yl]-4-methylhexa-2,4-dienoic acid
CID 142310927
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
CID 142809579
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
2-bromo-4-methylhexa-2,4-diene
CID 76702782
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
CID 166480860
2-(3,8-dimethyl-6-prop-1-en-2-yldeca-4,6,8-trien-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123631357
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 170590515
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene?
The IUPAC name of (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene (CID 144541052) is (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene is C=C(C)C(=C/C(C)=C\C)/C(C)=C\C.
What is the InChIKey of (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene?
The InChIKey is UCQRUAJQVWNWPE-PFVBFNHDSA-N. The full InChI is InChI=1S/C13H20/c1-7-11(5)9-13(10(3)4)12(6)8-2/h7-9H,3H2,1-2,4-6H3/b11-7-,12-8-,13-9-.
What are the key properties of (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene?
(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene is sourced from PubChem (CID 144541052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).