(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene

C10H18O — CID 143089763

IUPAC(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene
SMILESC/C=C(\C=C/C(C)OC)CC
InChIInChI=1S/C10H18O/c1-5-10(6-2)8-7-9(3)11-4/h5,7-9H,6H2,1-4H3/b8-7-,10-5-
InChIKeyDFEBKBPOKFXUHU-JCPYGFQFSA-N
MW154.25 g/mol
LogP2.93
Rot. Bonds4

About (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene

(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene (PubChem CID 143089763) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene
PubChem CID143089763
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene
SMILESC/C=C(\C=C/C(C)OC)CC
InChIInChI=1S/C10H18O/c1-5-10(6-2)8-7-9(3)11-4/h5,7-9H,6H2,1-4H3/b8-7-,10-5-
InChIKeyDFEBKBPOKFXUHU-JCPYGFQFSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
CID 143683617
(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
CID 88543617
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
CID 142868554
(Z)-5-methoxyhex-3-en-2-imine
CID 123705474
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
CID 155470395
triethyl-[(E)-3-methoxybut-1-enyl]silane
CID 102596354
(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol
CID 139497248
(2Z,4E)-6-methoxyhepta-2,4-diene
CID 58952970
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 139664435
(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene (CID 143089763) is (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene is C/C=C(\C=C/C(C)OC)CC.
What is the InChIKey of (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene?
The InChIKey is DFEBKBPOKFXUHU-JCPYGFQFSA-N. The full InChI is InChI=1S/C10H18O/c1-5-10(6-2)8-7-9(3)11-4/h5,7-9H,6H2,1-4H3/b8-7-,10-5-.
What are the key properties of (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene?
(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene has a molecular weight of 154.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene is sourced from PubChem (CID 143089763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).