(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene

C12H20 — CID 143472729

IUPAC(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
SMILESC=C(C)/C=C\C(=C/C)CC(C)C
InChIInChI=1S/C12H20/c1-6-12(9-11(4)5)8-7-10(2)3/h6-8,11H,2,9H2,1,3-5H3/b8-7-,12-6+
InChIKeyFYBUIHMETPLQJV-HRZQEMGZSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds4

About (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene

(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene (PubChem CID 143472729) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
PubChem CID143472729
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
SMILESC=C(C)/C=C\C(=C/C)CC(C)C
InChIInChI=1S/C12H20/c1-6-12(9-11(4)5)8-7-10(2)3/h6-8,11H,2,9H2,1,3-5H3/b8-7-,12-6+
InChIKeyFYBUIHMETPLQJV-HRZQEMGZSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
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

2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
CID 143365182
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
4-ethylidene-2,6-dimethylheptane
CID 102206987
S-(2-acetamido-3-oxobutyl) 6-ethylidene-2,8-dimethyl-3-methylidenenon-4-enethioate
CID 91473850
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280
(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
2,4-dimethylpent-1-ene;ethane
CID 143336990
(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
CID 89034156
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene?
The IUPAC name of (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene (CID 143472729) is (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene.
What is the SMILES notation for (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene?
The canonical SMILES for (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene is C=C(C)/C=C\C(=C/C)CC(C)C.
What is the InChIKey of (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene?
The InChIKey is FYBUIHMETPLQJV-HRZQEMGZSA-N. The full InChI is InChI=1S/C12H20/c1-6-12(9-11(4)5)8-7-10(2)3/h6-8,11H,2,9H2,1,3-5H3/b8-7-,12-6+.
What are the key properties of (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene?
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene is sourced from PubChem (CID 143472729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).