sodium 5-tetradecoxyfuran-2-carboxylate

C19H31NaO4 — CID 70609100

IUPACsodium 5-tetradecoxyfuran-2-carboxylate
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])o1.[Na+]
InChIInChI=1S/C19H32O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21;/h14-15H,2-13,16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyGKXVMKSEVNZSGW-UHFFFAOYSA-M
MW346.44 g/mol
LogP1.73
Rot. Bonds15

About sodium 5-tetradecoxyfuran-2-carboxylate

sodium 5-tetradecoxyfuran-2-carboxylate (PubChem CID 70609100) has the molecular formula C19H31NaO4 and a molecular weight of 346.44 g/mol. Its IUPAC name is sodium 5-tetradecoxyfuran-2-carboxylate.

Molecular Properties

Compound Namesodium 5-tetradecoxyfuran-2-carboxylate
PubChem CID70609100
Molecular FormulaC19H31NaO4
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Namesodium 5-tetradecoxyfuran-2-carboxylate
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])o1.[Na+]
InChIInChI=1S/C19H32O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21;/h14-15H,2-13,16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyGKXVMKSEVNZSGW-UHFFFAOYSA-M
XLogP1.73
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
CID 173446967
1-(5-decoxyfuran-2-yl)ethanone
CID 22152433
1-(5-pentadec-9-enoxyfuran-2-yl)ethanone
CID 54484583
1-(diethylamino)ethyl 5-hexadecoxyfuran-2-carboxylate
CID 70610212
2,3-dihydroxypropyl 5-tetradecoxyfuran-2-carboxylate
CID 169131554
dichloromethane;propan-2-yl 5-tetradecoxyfuran-2-carboxylate;5-tetradecoxyfuran-2-carboxylic acid
CID 157100187
2-(4-pentoxyphenyl)acetate
CID 7009494
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
sodium 4-decylbenzoate
CID 68743346
sodium 6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoate
CID 102039493
1-(5-ethoxyfuran-2-yl)ethanone
CID 67092412
magnesium bis(2-decoxybenzoate)
CID 70413847

Frequently Asked Questions

What is the IUPAC name of sodium 5-tetradecoxyfuran-2-carboxylate?
The IUPAC name of sodium 5-tetradecoxyfuran-2-carboxylate (CID 70609100) is sodium 5-tetradecoxyfuran-2-carboxylate.
What is the SMILES notation for sodium 5-tetradecoxyfuran-2-carboxylate?
The canonical SMILES for sodium 5-tetradecoxyfuran-2-carboxylate is CCCCCCCCCCCCCCOc1ccc(C(=O)[O-])o1.[Na+].
What is the InChIKey of sodium 5-tetradecoxyfuran-2-carboxylate?
The InChIKey is GKXVMKSEVNZSGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H32O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21;/h14-15H,2-13,16H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of sodium 5-tetradecoxyfuran-2-carboxylate?
sodium 5-tetradecoxyfuran-2-carboxylate has a molecular weight of 346.44 g/mol, XLogP of 1.73, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-tetradecoxyfuran-2-carboxylate is sourced from PubChem (CID 70609100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).