CID 162262014

C13H28B2 — CID 162262014

IUPAC—
SMILES[B]CC(C)C(C)CC.[B]CC(C)CCC
InChIInChI=1S/C7H15B.C6H13B/c1-4-6(2)7(3)5-8;1-3-4-6(2)5-7/h6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3
InChIKeySQCPGPOWVVKZBN-UHFFFAOYSA-N
MW205.99 g/mol
LogP4.26
Rot. Bonds6

About CID 162262014

CID 162262014 (PubChem CID 162262014) has the molecular formula C13H28B2 and a molecular weight of 205.99 g/mol.

Molecular Properties

Compound NameCID 162262014
PubChem CID162262014
Molecular FormulaC13H28B2
Molecular Weight205.99 g/mol
Exact Mass206.24
IUPAC Name—
SMILES[B]CC(C)C(C)CC.[B]CC(C)CCC
InChIInChI=1S/C7H15B.C6H13B/c1-4-6(2)7(3)5-8;1-3-4-6(2)5-7/h6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3
InChIKeySQCPGPOWVVKZBN-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.99
LogP ≤ 54.26
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

(3R)-3,4-dimethylheptane
CID 59819300
4-methylheptane
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4-methylheptane
CID 11512
6-ethyl-3,4,9-trimethyldodecane
CID 91130584
3,6-dimethylnonan-4-ol
CID 56626033
4-methylheptane;propane
CID 142171269
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(3R,6R)-3,6-dimethylnonane
CID 170848352
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
acetylene;4-methylheptane
CID 143164229
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
CID 91437014
CID 91437014

Frequently Asked Questions

What is the IUPAC name of CID 162262014?
The IUPAC name of CID 162262014 (CID 162262014) is not available.
What is the SMILES notation for CID 162262014?
The canonical SMILES for CID 162262014 is [B]CC(C)C(C)CC.[B]CC(C)CCC.
What is the InChIKey of CID 162262014?
The InChIKey is SQCPGPOWVVKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15B.C6H13B/c1-4-6(2)7(3)5-8;1-3-4-6(2)5-7/h6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3.
What are the key properties of CID 162262014?
CID 162262014 has a molecular weight of 205.99 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162262014 is sourced from PubChem (CID 162262014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).