CID 174098549

C19H39BO2 — CID 174098549

IUPAC—
SMILES[B]CCC(CCOC(CCC)CCC)OC(CCC)CCC
InChIInChI=1S/C19H39BO2/c1-5-9-17(10-6-2)21-16-14-19(13-15-20)22-18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3
InChIKeyWNIBOWWGCXFBBW-UHFFFAOYSA-N
MW310.33 g/mol
LogP5.69
Rot. Bonds16

About CID 174098549

CID 174098549 (PubChem CID 174098549) has the molecular formula C19H39BO2 and a molecular weight of 310.33 g/mol.

Molecular Properties

Compound NameCID 174098549
PubChem CID174098549
Molecular FormulaC19H39BO2
Molecular Weight310.33 g/mol
Exact Mass310.30
IUPAC Name—
SMILES[B]CCC(CCOC(CCC)CCC)OC(CCC)CCC
InChIInChI=1S/C19H39BO2/c1-5-9-17(10-6-2)21-16-14-19(13-15-20)22-18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3
InChIKeyWNIBOWWGCXFBBW-UHFFFAOYSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.33
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(2R)-butan-2-yl]oxy-3-ethoxyhexane
CID 88882328
3-propoxyhexan-1-ol
CID 139839964
4-icosan-4-yloxyicosane
CID 87313284
(3S)-1-[(2R)-butan-2-yl]oxy-3-[(3R)-3-ethoxy-4-methylpentoxy]hexane
CID 87530737
(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
CID 89015746
2-propoxypentan-1-ol
CID 140655109
4-hexadecan-5-yloxyhexadecane
CID 57069400
1-hexan-3-yloxy-4-methylhexane
CID 142047921
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
3-hexan-3-yloxyhexane;trimethoxysilane
CID 175116578
N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine
CID 142932877
2-(3-hydroxypropoxy)pentan-1-ol
CID 150485791

Frequently Asked Questions

What is the IUPAC name of CID 174098549?
The IUPAC name of CID 174098549 (CID 174098549) is not available.
What is the SMILES notation for CID 174098549?
The canonical SMILES for CID 174098549 is [B]CCC(CCOC(CCC)CCC)OC(CCC)CCC.
What is the InChIKey of CID 174098549?
The InChIKey is WNIBOWWGCXFBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39BO2/c1-5-9-17(10-6-2)21-16-14-19(13-15-20)22-18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3.
What are the key properties of CID 174098549?
CID 174098549 has a molecular weight of 310.33 g/mol, XLogP of 5.69, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174098549 is sourced from PubChem (CID 174098549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).