(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene

C11H18O2 — CID 142585808

IUPAC(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene
SMILESC=C(/C=C(/CCC)C(=C)OC)OC
InChIInChI=1S/C11H18O2/c1-6-7-11(10(3)13-5)8-9(2)12-4/h8H,2-3,6-7H2,1,4-5H3/b11-8-
InChIKeyKVHGOGATPRYTFA-FLIBITNWSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds6

About (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene

(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene (PubChem CID 142585808) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene
PubChem CID142585808
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene
SMILESC=C(/C=C(/CCC)C(=C)OC)OC
InChIInChI=1S/C11H18O2/c1-6-7-11(10(3)13-5)8-9(2)12-4/h8H,2-3,6-7H2,1,4-5H3/b11-8-
InChIKeyKVHGOGATPRYTFA-FLIBITNWSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-but-1-en-2-yl-2-[(1E,3Z)-4-chloro-3-fluorobuta-1,3-dienoxy]acetamide;ethene;(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene;N-methylformamide
CID 142585806
2,4-dimethoxy-5-methylidenehepta-1,3-diene
CID 123258138
dimethyl 3,4-dipropylhexa-2,4-dienedioate
CID 606910
(3E)-3-fluoro-2-methoxy-5-methylhexa-1,3,5-triene;propane
CID 143383116
(3E)-3,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine;ethane
CID 142423701
2,4-dimethoxypenta-1,3-diene
CID 90861204
4,5-dimethylideneoctane
CID 13294231
2-methoxydec-1-en-3-one
CID 131862503
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(3E)-5-methoxy-N-(methoxymethyl)hexa-3,5-dien-3-amine
CID 154006676
(3E)-3-fluoro-5-methoxy-2-(trifluoromethoxy)hexa-1,3,5-triene
CID 177209308
(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine
CID 176960819

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene?
The IUPAC name of (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene (CID 142585808) is (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene.
What is the SMILES notation for (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene?
The canonical SMILES for (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene is C=C(/C=C(/CCC)C(=C)OC)OC.
What is the InChIKey of (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene?
The InChIKey is KVHGOGATPRYTFA-FLIBITNWSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-7-11(10(3)13-5)8-9(2)12-4/h8H,2-3,6-7H2,1,4-5H3/b11-8-.
What are the key properties of (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene?
(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene has a molecular weight of 182.26 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene is sourced from PubChem (CID 142585808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).