(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene

C10H16O — CID 142367343

IUPAC(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
SMILESC=C/C=C\C(=C)CCOCC
InChIInChI=1S/C10H16O/c1-4-6-7-10(3)8-9-11-5-2/h4,6-7H,1,3,5,8-9H2,2H3/b7-6-
InChIKeyWBWJWGFUKODBTD-SREVYHEPSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds6

About (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene

(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene (PubChem CID 142367343) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
PubChem CID142367343
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
SMILESC=C/C=C\C(=C)CCOCC
InChIInChI=1S/C10H16O/c1-4-6-7-10(3)8-9-11-5-2/h4,6-7H,1,3,5,8-9H2,2H3/b7-6-
InChIKeyWBWJWGFUKODBTD-SREVYHEPSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
The IUPAC name of (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene (CID 142367343) is (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene is C=C/C=C\C(=C)CCOCC.
What is the InChIKey of (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
The InChIKey is WBWJWGFUKODBTD-SREVYHEPSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-7-10(3)8-9-11-5-2/h4,6-7H,1,3,5,8-9H2,2H3/b7-6-.
What are the key properties of (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene?
(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-ethoxy-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 142367343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).