(Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene

C14H26O2 — CID 12000181

IUPAC(Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene
SMILESCCCCC(/C=C\COCC=C(C)C)OC
InChIInChI=1S/C14H26O2/c1-5-6-8-14(15-4)9-7-11-16-12-10-13(2)3/h7,9-10,14H,5-6,8,11-12H2,1-4H3/b9-7-
InChIKeyMPSFMQAYCZMUQI-CLFYSBASSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds9

About (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene

(Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene (PubChem CID 12000181) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene.

Molecular Properties

Compound Name(Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene
PubChem CID12000181
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene
SMILESCCCCC(/C=C\COCC=C(C)C)OC
InChIInChI=1S/C14H26O2/c1-5-6-8-14(15-4)9-7-11-16-12-10-13(2)3/h7,9-10,14H,5-6,8,11-12H2,1-4H3/b9-7-
InChIKeyMPSFMQAYCZMUQI-CLFYSBASSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene?
The IUPAC name of (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene (CID 12000181) is (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene.
What is the SMILES notation for (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene?
The canonical SMILES for (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene is CCCCC(/C=C\COCC=C(C)C)OC.
What is the InChIKey of (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene?
The InChIKey is MPSFMQAYCZMUQI-CLFYSBASSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-6-8-14(15-4)9-7-11-16-12-10-13(2)3/h7,9-10,14H,5-6,8,11-12H2,1-4H3/b9-7-.
What are the key properties of (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene?
(Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene has a molecular weight of 226.36 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-1-(3-methylbut-2-enoxy)oct-2-ene is sourced from PubChem (CID 12000181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).