(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene

C10H16O — CID 142868554

IUPAC(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
SMILESC=C(/C=C\C(=C/C)CC)OC
InChIInChI=1S/C10H16O/c1-5-10(6-2)8-7-9(3)11-4/h5,7-8H,3,6H2,1-2,4H3/b8-7-,10-5-
InChIKeyZUCJRINVQQVTDT-JCPYGFQFSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds4

About (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene

(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene (PubChem CID 142868554) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
PubChem CID142868554
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
SMILESC=C(/C=C\C(=C/C)CC)OC
InChIInChI=1S/C10H16O/c1-5-10(6-2)8-7-9(3)11-4/h5,7-8H,3,6H2,1-2,4H3/b8-7-,10-5-
InChIKeyZUCJRINVQQVTDT-JCPYGFQFSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
CID 88543617
ethane;(3Z)-5-methoxyhexa-1,3,5-triene-2-thiol
CID 143643726
(3Z,5E)-2-methoxy-5-methylhepta-1,3,5-triene
CID 142113111
5-ethyl-2-methylidenehepta-3,5-dienoic acid
CID 91121343
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557
(1E)-N-ethyl-3-methoxybuta-1,3-dien-1-amine
CID 163990722
(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
N-[(4Z)-6-methoxy-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylidenebutan-1-imine;propane
CID 142282580
(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene
CID 143089763
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene (CID 142868554) is (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene is C=C(/C=C\C(=C/C)CC)OC.
What is the InChIKey of (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene?
The InChIKey is ZUCJRINVQQVTDT-JCPYGFQFSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(6-2)8-7-9(3)11-4/h5,7-8H,3,6H2,1-2,4H3/b8-7-,10-5-.
What are the key properties of (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene?
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene is sourced from PubChem (CID 142868554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).