CID 174093859

C11H21BS — CID 174093859

IUPAC—
SMILES[B]C1(S)CCCC(CC)(CCC)C1
InChIInChI=1S/C11H21BS/c1-3-6-10(4-2)7-5-8-11(12,13)9-10/h13H,3-9H2,1-2H3
InChIKeyXBVSIZYBATVAHU-UHFFFAOYSA-N
MW196.17 g/mol
LogP3.55
Rot. Bonds3

About CID 174093859

CID 174093859 (PubChem CID 174093859) has the molecular formula C11H21BS and a molecular weight of 196.17 g/mol.

Molecular Properties

Compound NameCID 174093859
PubChem CID174093859
Molecular FormulaC11H21BS
Molecular Weight196.17 g/mol
Exact Mass196.15
IUPAC Name—
SMILES[B]C1(S)CCCC(CC)(CCC)C1
InChIInChI=1S/C11H21BS/c1-3-6-10(4-2)7-5-8-11(12,13)9-10/h13H,3-9H2,1-2H3
InChIKeyXBVSIZYBATVAHU-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-propylcyclobutane
CID 58586108
1-(bromomethyl)-1-propylcyclobutane
CID 66050850
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
[1,3,5-tripropyl-3,5-bis(sulfanylmethyl)cyclohexyl]methanethiol
CID 102497626
1-(2-methoxyethyl)-1-propylcyclobutane
CID 164846249
1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one
CID 144910534
(3R)-3-ethyl-3-propylcyclohexan-1-one
CID 121217390
(3S)-3-ethyl-3-propylcyclohexan-1-one
CID 131089811
4-ethyl-4-propyloxane
CID 142221834
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
1,1-diethylcyclohexane;ethane
CID 142116480
4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium
CID 90954061

Frequently Asked Questions

What is the IUPAC name of CID 174093859?
The IUPAC name of CID 174093859 (CID 174093859) is not available.
What is the SMILES notation for CID 174093859?
The canonical SMILES for CID 174093859 is [B]C1(S)CCCC(CC)(CCC)C1.
What is the InChIKey of CID 174093859?
The InChIKey is XBVSIZYBATVAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BS/c1-3-6-10(4-2)7-5-8-11(12,13)9-10/h13H,3-9H2,1-2H3.
What are the key properties of CID 174093859?
CID 174093859 has a molecular weight of 196.17 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174093859 is sourced from PubChem (CID 174093859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).