(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene

C13H20 — CID 143964133

IUPAC(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene
SMILESC=C(C)C(=C)C(C/C=C\C)C(=C)C
InChIInChI=1S/C13H20/c1-7-8-9-13(11(4)5)12(6)10(2)3/h7-8,13H,2,4,6,9H2,1,3,5H3/b8-7-
InChIKeyIFFKUDYAGIEADY-FPLPWBNLSA-N
MW176.30 g/mol
LogP4.28
Rot. Bonds5

About (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene

(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene (PubChem CID 143964133) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene.

Molecular Properties

Compound Name(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene
PubChem CID143964133
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene
SMILESC=C(C)C(=C)C(C/C=C\C)C(=C)C
InChIInChI=1S/C13H20/c1-7-8-9-13(11(4)5)12(6)10(2)3/h7-8,13H,2,4,6,9H2,1,3,5H3/b8-7-
InChIKeyIFFKUDYAGIEADY-FPLPWBNLSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene?
The IUPAC name of (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene (CID 143964133) is (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene.
What is the SMILES notation for (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene?
The canonical SMILES for (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene is C=C(C)C(=C)C(C/C=C\C)C(=C)C.
What is the InChIKey of (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene?
The InChIKey is IFFKUDYAGIEADY-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H20/c1-7-8-9-13(11(4)5)12(6)10(2)3/h7-8,13H,2,4,6,9H2,1,3,5H3/b8-7-.
What are the key properties of (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene?
(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene has a molecular weight of 176.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene is sourced from PubChem (CID 143964133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).