[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate

C8H12O2 — CID 145290933

IUPAC[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
SMILESC/C=C\C=C(\C)COC=O
InChIInChI=1S/C8H12O2/c1-3-4-5-8(2)6-10-7-9/h3-5,7H,6H2,1-2H3/b4-3-,8-5-
InChIKeyXKHAJAUEMQVNMH-UBNNFMAXSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds4

About [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate

[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate (PubChem CID 145290933) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate.

Molecular Properties

Compound Name[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
PubChem CID145290933
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
SMILESC/C=C\C=C(\C)COC=O
InChIInChI=1S/C8H12O2/c1-3-4-5-8(2)6-10-7-9/h3-5,7H,6H2,1-2H3/b4-3-,8-5-
InChIKeyXKHAJAUEMQVNMH-UBNNFMAXSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772
2-oxopropyl formate
CID 10920454
N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane
CID 143804228
ethyl (3E,5Z)-3-methylhepta-3,5-dienoate
CID 59963772
[(E)-3-methylpent-3-enyl] formate
CID 6441355
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
CID 142114601
N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
CID 143508442
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine
CID 167138679
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750

Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate?
The IUPAC name of [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate (CID 145290933) is [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate.
What is the SMILES notation for [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate?
The canonical SMILES for [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate is C/C=C\C=C(\C)COC=O.
What is the InChIKey of [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate?
The InChIKey is XKHAJAUEMQVNMH-UBNNFMAXSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-5-8(2)6-10-7-9/h3-5,7H,6H2,1-2H3/b4-3-,8-5-.
What are the key properties of [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate?
[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate has a molecular weight of 140.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-2-methylhexa-2,4-dienyl] formate is sourced from PubChem (CID 145290933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).