CID 162309133

C15H32NaO2 — CID 162309133

IUPAC—
SMILESCCCCCCCCCCCCC(O)(O)CC.[Na]
InChIInChI=1S/C15H32O2.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15(16,17)4-2;/h16-17H,3-14H2,1-2H3;
InChIKeyRBTRBRMWLRGGGU-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.01
Rot. Bonds12

About CID 162309133

CID 162309133 (PubChem CID 162309133) has the molecular formula C15H32NaO2 and a molecular weight of 267.41 g/mol.

Molecular Properties

Compound NameCID 162309133
PubChem CID162309133
Molecular FormulaC15H32NaO2
Molecular Weight267.41 g/mol
Exact Mass267.23
IUPAC Name—
SMILESCCCCCCCCCCCCC(O)(O)CC.[Na]
InChIInChI=1S/C15H32O2.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15(16,17)4-2;/h16-17H,3-14H2,1-2H3;
InChIKeyRBTRBRMWLRGGGU-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

nonane-3,3-diol
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octane-3,3-diol
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9-ethylheptadecan-9-ol
CID 86166082
tritriacontane-15,15,16,16-tetrol
CID 19863089
7-hexylhexadecan-7-ol
CID 141253911
triacontane-1,1,1-triol
CID 87376487
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
dodecane-1,1,1-triol
CID 22412604
5,5-diethyldecane-3,3-diol
CID 141318506

Frequently Asked Questions

What is the IUPAC name of CID 162309133?
The IUPAC name of CID 162309133 (CID 162309133) is not available.
What is the SMILES notation for CID 162309133?
The canonical SMILES for CID 162309133 is CCCCCCCCCCCCC(O)(O)CC.[Na].
What is the InChIKey of CID 162309133?
The InChIKey is RBTRBRMWLRGGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15(16,17)4-2;/h16-17H,3-14H2,1-2H3;.
What are the key properties of CID 162309133?
CID 162309133 has a molecular weight of 267.41 g/mol, XLogP of 4.01, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162309133 is sourced from PubChem (CID 162309133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).