(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene

C10H16O — CID 143959035

IUPAC(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/COCC
InChIInChI=1S/C10H16O/c1-4-7-10(3)8-6-9-11-5-2/h4,6-8H,1,5,9H2,2-3H3/b8-6-,10-7-
InChIKeyJOROQJCBXHMOCD-YOYBIJIWSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds5

About (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene

(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene (PubChem CID 143959035) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
PubChem CID143959035
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/COCC
InChIInChI=1S/C10H16O/c1-4-7-10(3)8-6-9-11-5-2/h4,6-8H,1,5,9H2,2-3H3/b8-6-,10-7-
InChIKeyJOROQJCBXHMOCD-YOYBIJIWSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
(2Z,4Z)-4-methylhepta-2,4,6-triene-1-sulfonic acid
CID 90448370
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
buta-1,3-diene;ethoxyethane
CID 18964357
(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine
CID 89364330
(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
(E)-5-prop-2-enoxypent-3-en-2-one
CID 45085584
2-[(1E,3E,5E,7E,9E,11E,13E)-15-ethoxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]-1,3,3-trimethylcyclohexene
CID 166930372
(3E)-3-methylhexa-1,3,5-triene
CID 5367380

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene (CID 143959035) is (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene is C=C/C=C(C)\C=C/COCC.
What is the InChIKey of (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene?
The InChIKey is JOROQJCBXHMOCD-YOYBIJIWSA-N. The full InChI is InChI=1S/C10H16O/c1-4-7-10(3)8-6-9-11-5-2/h4,6-8H,1,5,9H2,2-3H3/b8-6-,10-7-.
What are the key properties of (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene?
(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene has a molecular weight of 152.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 143959035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).