ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid

C18H26O4 — CID 143874720

IUPACethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid
SMILESC=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)O.CC
InChIInChI=1S/C16H20O4.C2H6/c1-5-7-19-14-10-15(20-8-6-2)13(16(17)18)9-12(14)11(3)4;1-2/h5-6,9-11H,1-2,7-8H2,3-4H3,(H,17,18);1-2H3
InChIKeyZTLYAXCLVKDLHZ-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.66
Rot. Bonds8

About ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid

ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid (PubChem CID 143874720) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid.

Molecular Properties

Compound Nameethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid
PubChem CID143874720
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid
SMILESC=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)O.CC
InChIInChI=1S/C16H20O4.C2H6/c1-5-7-19-14-10-15(20-8-6-2)13(16(17)18)9-12(14)11(3)4;1-2/h5-6,9-11H,1-2,7-8H2,3-4H3,(H,17,18);1-2H3
InChIKeyZTLYAXCLVKDLHZ-UHFFFAOYSA-N
XLogP4.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-prop-2-enoxybenzene-1,3-dicarboxylic acid
CID 174467591
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
4-(hydroxymethyl)-2-prop-2-enoxybenzoic acid
CID 58818400
1-[4-(morpholine-4-carbonyl)cyclohexa-1,3-dien-1-yl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea
CID 143289792
2-amino-5-prop-2-enoxybenzoic acid
CID 57155191
5-bromo-3-ethoxy-2-prop-2-enoxybenzoic acid
CID 100583717
2-prop-2-enoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035279
4-(2-methylprop-2-enoyloxy)-2-prop-2-enoxybenzoic acid
CID 70445010
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
5-(4-fluorophenyl)-2-prop-2-enoxybenzoic acid
CID 21416446

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid?
The IUPAC name of ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid (CID 143874720) is ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid.
What is the SMILES notation for ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid?
The canonical SMILES for ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid is C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)O.CC.
What is the InChIKey of ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid?
The InChIKey is ZTLYAXCLVKDLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4.C2H6/c1-5-7-19-14-10-15(20-8-6-2)13(16(17)18)9-12(14)11(3)4;1-2/h5-6,9-11H,1-2,7-8H2,3-4H3,(H,17,18);1-2H3.
What are the key properties of ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid?
ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid has a molecular weight of 306.40 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid is sourced from PubChem (CID 143874720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).