CID 165051980

C16H32NaO2 — CID 165051980

IUPAC—
SMILESCCCCCCCCCC(=O)OC(C)CCCC.[Na]
InChIInChI=1S/C16H32O2.Na/c1-4-6-8-9-10-11-12-14-16(17)18-15(3)13-7-5-2;/h15H,4-14H2,1-3H3;
InChIKeyPUNLKEPCWOHANI-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.87
Rot. Bonds12

About CID 165051980

CID 165051980 (PubChem CID 165051980) has the molecular formula C16H32NaO2 and a molecular weight of 279.42 g/mol.

Molecular Properties

Compound NameCID 165051980
PubChem CID165051980
Molecular FormulaC16H32NaO2
Molecular Weight279.42 g/mol
Exact Mass279.23
IUPAC Name—
SMILESCCCCCCCCCC(=O)OC(C)CCCC.[Na]
InChIInChI=1S/C16H32O2.Na/c1-4-6-8-9-10-11-12-14-16(17)18-15(3)13-7-5-2;/h15H,4-14H2,1-3H3;
InChIKeyPUNLKEPCWOHANI-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptadecan-2-yl tetradecanoate
CID 54293612
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
pentan-2-yl tetradecanoate
CID 18676710
pentan-2-yl octadecanoate
CID 22644362
dioctan-2-yl pentanedioate
CID 71404705
6-butyldodecan-2-yl octanoate
CID 174595490
1-O-dodecyl 6-O-hexan-2-yl hexanedioate
CID 91714154
tetradecan-2-yl 6-bromohexanoate
CID 534466
23-docosanoyloxytetracosanoic acid
CID 133050807

Frequently Asked Questions

What is the IUPAC name of CID 165051980?
The IUPAC name of CID 165051980 (CID 165051980) is not available.
What is the SMILES notation for CID 165051980?
The canonical SMILES for CID 165051980 is CCCCCCCCCC(=O)OC(C)CCCC.[Na].
What is the InChIKey of CID 165051980?
The InChIKey is PUNLKEPCWOHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.Na/c1-4-6-8-9-10-11-12-14-16(17)18-15(3)13-7-5-2;/h15H,4-14H2,1-3H3;.
What are the key properties of CID 165051980?
CID 165051980 has a molecular weight of 279.42 g/mol, XLogP of 4.87, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165051980 is sourced from PubChem (CID 165051980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).