CID 88913892

C14H27BO2 — CID 88913892

IUPAC—
SMILES[B]CC(C)(C)CC(C)(C)COC1CCCCO1
InChIInChI=1S/C14H27BO2/c1-13(2,10-15)9-14(3,4)11-17-12-7-5-6-8-16-12/h12H,5-11H2,1-4H3
InChIKeyZBMMZTHTADMMSX-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.56
Rot. Bonds6

About CID 88913892

CID 88913892 (PubChem CID 88913892) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol.

Molecular Properties

Compound NameCID 88913892
PubChem CID88913892
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name—
SMILES[B]CC(C)(C)CC(C)(C)COC1CCCCO1
InChIInChI=1S/C14H27BO2/c1-13(2,10-15)9-14(3,4)11-17-12-7-5-6-8-16-12/h12H,5-11H2,1-4H3
InChIKeyZBMMZTHTADMMSX-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.56
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

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CID 142212056
5,5-dimethyl-6-(oxan-2-yloxy)hexan-1-amine
CID 11586665
5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
CID 129364883
magnesium;2-ethoxyoxane;dichloride
CID 158421621
6,6-dimethyl-7-[(2R)-oxan-2-yl]oxyheptanenitrile
CID 129364886
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile
CID 139729827
2-[2,2,13,13-tetramethyl-14-(oxan-2-yloxy)tetradecoxy]oxane;2,2,13,13-tetramethyltetradecane-1,6,9,14-tetrol
CID 159010066
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213

Frequently Asked Questions

What is the IUPAC name of CID 88913892?
The IUPAC name of CID 88913892 (CID 88913892) is not available.
What is the SMILES notation for CID 88913892?
The canonical SMILES for CID 88913892 is [B]CC(C)(C)CC(C)(C)COC1CCCCO1.
What is the InChIKey of CID 88913892?
The InChIKey is ZBMMZTHTADMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO2/c1-13(2,10-15)9-14(3,4)11-17-12-7-5-6-8-16-12/h12H,5-11H2,1-4H3.
What are the key properties of CID 88913892?
CID 88913892 has a molecular weight of 238.18 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88913892 is sourced from PubChem (CID 88913892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).