CID 170573296

C6H11BO2 — CID 170573296

IUPAC—
SMILES[B]C1COCCC1OC
InChIInChI=1S/C6H11BO2/c1-8-6-2-3-9-4-5(6)7/h5-6H,2-4H2,1H3
InChIKeyHXBARMDCXOIPHU-UHFFFAOYSA-N
MW125.96 g/mol
LogP0.38
Rot. Bonds1

About CID 170573296

CID 170573296 (PubChem CID 170573296) has the molecular formula C6H11BO2 and a molecular weight of 125.96 g/mol.

Molecular Properties

Compound NameCID 170573296
PubChem CID170573296
Molecular FormulaC6H11BO2
Molecular Weight125.96 g/mol
Exact Mass126.09
IUPAC Name—
SMILES[B]C1COCCC1OC
InChIInChI=1S/C6H11BO2/c1-8-6-2-3-9-4-5(6)7/h5-6H,2-4H2,1H3
InChIKeyHXBARMDCXOIPHU-UHFFFAOYSA-N
XLogP0.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.96
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-4-methoxyoxan-3-yl]methanimine
CID 158130238
(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
CID 178190292
4-chloro-3-methoxyoxane
CID 130632423
ethane;3-methoxy-4-methyloxane
CID 143656491
3-methoxy-4-prop-1-en-2-yloxane
CID 163535676
(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
CID 131101922
N-(2-methoxycyclohexyl)oxolan-3-amine
CID 80717087
1-(3-methoxyoxan-4-yl)propan-1-ol
CID 130723846
(3R,5R)-3,4,5-trimethoxyoxane
CID 6428184

Frequently Asked Questions

What is the IUPAC name of CID 170573296?
The IUPAC name of CID 170573296 (CID 170573296) is not available.
What is the SMILES notation for CID 170573296?
The canonical SMILES for CID 170573296 is [B]C1COCCC1OC.
What is the InChIKey of CID 170573296?
The InChIKey is HXBARMDCXOIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO2/c1-8-6-2-3-9-4-5(6)7/h5-6H,2-4H2,1H3.
What are the key properties of CID 170573296?
CID 170573296 has a molecular weight of 125.96 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170573296 is sourced from PubChem (CID 170573296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).