CID 147061074

C12H15B — CID 147061074

IUPAC—
SMILES[B]CCCCc1ccc2c(c1)CC2
InChIInChI=1S/C12H15B/c13-8-2-1-3-10-4-5-11-6-7-12(11)9-10/h4-5,9H,1-3,6-8H2
InChIKeyIKZJRFICCYFYIV-UHFFFAOYSA-N
MW170.06 g/mol
LogP2.69
Rot. Bonds4

About CID 147061074

CID 147061074 (PubChem CID 147061074) has the molecular formula C12H15B and a molecular weight of 170.06 g/mol.

Molecular Properties

Compound NameCID 147061074
PubChem CID147061074
Molecular FormulaC12H15B
Molecular Weight170.06 g/mol
Exact Mass170.13
IUPAC Name—
SMILES[B]CCCCc1ccc2c(c1)CC2
InChIInChI=1S/C12H15B/c13-8-2-1-3-10-4-5-11-6-7-12(11)9-10/h4-5,9H,1-3,6-8H2
InChIKeyIKZJRFICCYFYIV-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(8-phenyloctyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143940802
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
3-[8-(3-methylphenyl)octyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58151344
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butyl acetate
CID 58389492
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
3-[6-(4-methylphenoxy)hexyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 153457662
3-[10-(4-methylphenoxy)decyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 153457684
N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-N-[4-[4-(N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 58251066
3-(chloromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 11804968
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182

Frequently Asked Questions

What is the IUPAC name of CID 147061074?
The IUPAC name of CID 147061074 (CID 147061074) is not available.
What is the SMILES notation for CID 147061074?
The canonical SMILES for CID 147061074 is [B]CCCCc1ccc2c(c1)CC2.
What is the InChIKey of CID 147061074?
The InChIKey is IKZJRFICCYFYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15B/c13-8-2-1-3-10-4-5-11-6-7-12(11)9-10/h4-5,9H,1-3,6-8H2.
What are the key properties of CID 147061074?
CID 147061074 has a molecular weight of 170.06 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147061074 is sourced from PubChem (CID 147061074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).