CID 174109256

C11H19B — CID 174109256

IUPAC—
SMILES[B]C1(CC)CC2CCC(C2)[C@@H]1C
InChIInChI=1S/C11H19B/c1-3-11(12)7-9-4-5-10(6-9)8(11)2/h8-10H,3-7H2,1-2H3/t8-,9?,10?,11?/m0/s1
InChIKeyZLEDBWWDVPXFDJ-FBAUCUACSA-N
MW162.09 g/mol
LogP3.18
Rot. Bonds1

About CID 174109256

CID 174109256 (PubChem CID 174109256) has the molecular formula C11H19B and a molecular weight of 162.09 g/mol.

Molecular Properties

Compound NameCID 174109256
PubChem CID174109256
Molecular FormulaC11H19B
Molecular Weight162.09 g/mol
Exact Mass162.16
IUPAC Name—
SMILES[B]C1(CC)CC2CCC(C2)[C@@H]1C
InChIInChI=1S/C11H19B/c1-3-11(12)7-9-4-5-10(6-9)8(11)2/h8-10H,3-7H2,1-2H3/t8-,9?,10?,11?/m0/s1
InChIKeyZLEDBWWDVPXFDJ-FBAUCUACSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 53.18
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

(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
1-ethyl-2,4-dimethyladamantane
CID 90877999
2-ethyl-2-iodobicyclo[2.2.1]heptane
CID 142982397
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637
3-ethyl-3-methoxy-8-methylbicyclo[3.2.1]octane
CID 67567829
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736

Frequently Asked Questions

What is the IUPAC name of CID 174109256?
The IUPAC name of CID 174109256 (CID 174109256) is not available.
What is the SMILES notation for CID 174109256?
The canonical SMILES for CID 174109256 is [B]C1(CC)CC2CCC(C2)[C@@H]1C.
What is the InChIKey of CID 174109256?
The InChIKey is ZLEDBWWDVPXFDJ-FBAUCUACSA-N. The full InChI is InChI=1S/C11H19B/c1-3-11(12)7-9-4-5-10(6-9)8(11)2/h8-10H,3-7H2,1-2H3/t8-,9?,10?,11?/m0/s1.
What are the key properties of CID 174109256?
CID 174109256 has a molecular weight of 162.09 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174109256 is sourced from PubChem (CID 174109256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).