CID 18982445

C19H31B — CID 18982445

IUPAC—
SMILES[B]C(CCCC)(CCCC)c1ccccc1CCCC
InChIInChI=1S/C19H31B/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-16H2,1-3H3
InChIKeyOYVGADGYLZSGAJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP5.77
Rot. Bonds10

About CID 18982445

CID 18982445 (PubChem CID 18982445) has the molecular formula C19H31B and a molecular weight of 270.27 g/mol.

Molecular Properties

Compound NameCID 18982445
PubChem CID18982445
Molecular FormulaC19H31B
Molecular Weight270.27 g/mol
Exact Mass270.25
IUPAC Name—
SMILES[B]C(CCCC)(CCCC)c1ccccc1CCCC
InChIInChI=1S/C19H31B/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-16H2,1-3H3
InChIKeyOYVGADGYLZSGAJ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.27
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 173038045
CID 173038045
5-(2-butylphenyl)nonan-5-amine;hydrate
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2-(2-butylphenyl)hexane-1,2-diol
CID 162716167
3-butyl-3-(2-butylphenyl)heptanoic acid
CID 156769670
CID 159940559
CID 159940559
2-(2-octylphenyl)propan-2-amine;hydrobromide
CID 173314591
azanium 3-butyl-3-(2-butylphenyl)heptanoate
CID 156769669
1-(1,1-difluoroethyl)-2-pentylbenzene
CID 143129325
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
1,2-dibutyl-3-(5-phenylnonan-5-yl)benzene
CID 57305489
sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
CID 173446112

Frequently Asked Questions

What is the IUPAC name of CID 18982445?
The IUPAC name of CID 18982445 (CID 18982445) is not available.
What is the SMILES notation for CID 18982445?
The canonical SMILES for CID 18982445 is [B]C(CCCC)(CCCC)c1ccccc1CCCC.
What is the InChIKey of CID 18982445?
The InChIKey is OYVGADGYLZSGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31B/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3/h10-11,13-14H,4-9,12,15-16H2,1-3H3.
What are the key properties of CID 18982445?
CID 18982445 has a molecular weight of 270.27 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18982445 is sourced from PubChem (CID 18982445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).