CID 157349179

C14H28B2 — CID 157349179

IUPAC—
SMILESC/C=C/C(C)CCC.CC1C=CCC1.[2H][B].[2H][B]
InChIInChI=1S/C8H16.C6H10.2BH/c1-4-6-8(3)7-5-2;1-6-4-2-3-5-6;;/h4,6,8H,5,7H2,1-3H3;2,4,6H,3,5H2,1H3;2*1H/b6-4+;;;/i;;2*1D
InChIKeyRYTYXHYAQOWDLU-NHJACJHLSA-N
MW220.01 g/mol
LogP3.67
Rot. Bonds3

About CID 157349179

CID 157349179 (PubChem CID 157349179) has the molecular formula C14H28B2 and a molecular weight of 220.01 g/mol.

Molecular Properties

Compound NameCID 157349179
PubChem CID157349179
Molecular FormulaC14H28B2
Molecular Weight220.01 g/mol
Exact Mass220.25
IUPAC Name—
SMILESC/C=C/C(C)CCC.CC1C=CCC1.[2H][B].[2H][B]
InChIInChI=1S/C8H16.C6H10.2BH/c1-4-6-8(3)7-5-2;1-6-4-2-3-5-6;;/h4,6,8H,5,7H2,1-3H3;2,4,6H,3,5H2,1H3;2*1H/b6-4+;;;/i;;2*1D
InChIKeyRYTYXHYAQOWDLU-NHJACJHLSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 157349179 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;3-methylcyclopentene
CID 143221247
(Z)-4-methylhept-2-ene
CID 5352649
(3S)-3-methylcyclopentene
CID 11018803
2-methylbutan-2-ol;3-methylcyclopentene
CID 145265973
4-methyloct-2-ene
CID 528286
(1Z)-3,6-dimethylcyclooctene
CID 159575743
methylcyclobutane;(Z)-4-methylhex-2-ene
CID 142208255
(E)-4-methylicos-2-ene
CID 166512402
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
[(Z)-4-methylhept-5-enyl]cyclopentane
CID 143369090
methanol;3-methylcyclohexene;propan-2-ol
CID 142978987
1-cyclohex-2-en-1-ylbut-2-en-1-ol
CID 163436872

Frequently Asked Questions

What is the IUPAC name of CID 157349179?
The IUPAC name of CID 157349179 (CID 157349179) is not available.
What is the SMILES notation for CID 157349179?
The canonical SMILES for CID 157349179 is C/C=C/C(C)CCC.CC1C=CCC1.[2H][B].[2H][B].
What is the InChIKey of CID 157349179?
The InChIKey is RYTYXHYAQOWDLU-NHJACJHLSA-N. The full InChI is InChI=1S/C8H16.C6H10.2BH/c1-4-6-8(3)7-5-2;1-6-4-2-3-5-6;;/h4,6,8H,5,7H2,1-3H3;2,4,6H,3,5H2,1H3;2*1H/b6-4+;;;/i;;2*1D.
What are the key properties of CID 157349179?
CID 157349179 has a molecular weight of 220.01 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157349179 is sourced from PubChem (CID 157349179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).