4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol

C14H20O3 — CID 146666181

IUPAC4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol
SMILESC=CO/C(=C\C)CC1C=CC(O)=C(COC)C1
InChIInChI=1S/C14H20O3/c1-4-13(17-5-2)9-11-6-7-14(15)12(8-11)10-16-3/h4-7,11,15H,2,8-10H2,1,3H3/b13-4-
InChIKeyAQPXSHKFXBWJFK-PQMHYQBVSA-N
MW236.31 g/mol
LogP3.47
Rot. Bonds6

About 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol

4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 146666181) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol
PubChem CID146666181
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol
SMILESC=CO/C(=C\C)CC1C=CC(O)=C(COC)C1
InChIInChI=1S/C14H20O3/c1-4-13(17-5-2)9-11-6-7-14(15)12(8-11)10-16-3/h4-7,11,15H,2,8-10H2,1,3H3/b13-4-
InChIKeyAQPXSHKFXBWJFK-PQMHYQBVSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol (CID 146666181) is 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol is C=CO/C(=C\C)CC1C=CC(O)=C(COC)C1.
What is the InChIKey of 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is AQPXSHKFXBWJFK-PQMHYQBVSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-13(17-5-2)9-11-6-7-14(15)12(8-11)10-16-3/h4-7,11,15H,2,8-10H2,1,3H3/b13-4-.
What are the key properties of 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol?
4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 236.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-ethenoxybut-2-enyl]-2-(methoxymethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 146666181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).