sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate

C14H15NaO3 — CID 174690004

IUPACsodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
SMILESO=C(OCCCO)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C14H14O3.Na.H/c15-9-4-10-17-14(16)13-8-3-6-11-5-1-2-7-12(11)13;;/h1-3,5-8,15H,4,9-10H2;;/q;+1;-1
InChIKeyIAHMNNWDIWNWDM-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.50
Rot. Bonds4

About sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate

sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate (PubChem CID 174690004) has the molecular formula C14H15NaO3 and a molecular weight of 254.26 g/mol. Its IUPAC name is sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate.

Molecular Properties

Compound Namesodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
PubChem CID174690004
Molecular FormulaC14H15NaO3
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Namesodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
SMILESO=C(OCCCO)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C14H14O3.Na.H/c15-9-4-10-17-14(16)13-8-3-6-11-5-1-2-7-12(11)13;;/h1-3,5-8,15H,4,9-10H2;;/q;+1;-1
InChIKeyIAHMNNWDIWNWDM-UHFFFAOYSA-N
XLogP-0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxypropyl naphthalene-1-carboxylate
CID 71029614
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
bis[3-(3-hydroxypropoxy)propyl] benzene-1,2-dicarboxylate
CID 142688933
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
3-hydroxypropyl 3-amino-2-chlorobenzoate
CID 112580309
sodium;dibutyl benzene-1,2-dicarboxylate;hydride
CID 174330340
cyanomethyl naphthalene-1-carboxylate
CID 2477503
dioctyl benzene-1,2-dicarboxylate;naphthalen-1-ol
CID 174622604
bromo naphthalene-1-carboxylate
CID 68796403
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
4-(pyrene-1-carbonyloxy)butyl pyrene-1-carboxylate
CID 101008536

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate?
The IUPAC name of sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate (CID 174690004) is sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate.
What is the SMILES notation for sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate?
The canonical SMILES for sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate is O=C(OCCCO)c1cccc2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate?
The InChIKey is IAHMNNWDIWNWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3.Na.H/c15-9-4-10-17-14(16)13-8-3-6-11-5-1-2-7-12(11)13;;/h1-3,5-8,15H,4,9-10H2;;/q;+1;-1.
What are the key properties of sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate?
sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate has a molecular weight of 254.26 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate is sourced from PubChem (CID 174690004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).