CID 163454638

C7H14BO — CID 163454638

IUPAC—
SMILESC[B][C@H]1OC[C@H](C)[C@@H]1C
InChIInChI=1S/C7H14BO/c1-5-4-9-7(8-3)6(5)2/h5-7H,4H2,1-3H3/t5-,6-,7-/m0/s1
InChIKeyYURKHSSEHIJPCU-ACZMJKKPSA-N
MW125.00 g/mol
LogP1.37
Rot. Bonds1

About CID 163454638

CID 163454638 (PubChem CID 163454638) has the molecular formula C7H14BO and a molecular weight of 125.00 g/mol.

Molecular Properties

Compound NameCID 163454638
PubChem CID163454638
Molecular FormulaC7H14BO
Molecular Weight125.00 g/mol
Exact Mass125.11
IUPAC Name—
SMILESC[B][C@H]1OC[C@H](C)[C@@H]1C
InChIInChI=1S/C7H14BO/c1-5-4-9-7(8-3)6(5)2/h5-7H,4H2,1-3H3/t5-,6-,7-/m0/s1
InChIKeyYURKHSSEHIJPCU-ACZMJKKPSA-N
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.00
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
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2,3,4,5-tetramethyloxane
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(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874
(3R,4S)-3,4-dimethyloxolane-2-thiol
CID 88563389
(2S,3S)-2,3-dimethyloxetane
CID 76764483
3,4,5-trimethyloxan-2-ol
CID 23586464
3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912924
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
CID 161227566
[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
CID 58400213
CID 159348131
CID 159348131

Frequently Asked Questions

What is the IUPAC name of CID 163454638?
The IUPAC name of CID 163454638 (CID 163454638) is not available.
What is the SMILES notation for CID 163454638?
The canonical SMILES for CID 163454638 is C[B][C@H]1OC[C@H](C)[C@@H]1C.
What is the InChIKey of CID 163454638?
The InChIKey is YURKHSSEHIJPCU-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H14BO/c1-5-4-9-7(8-3)6(5)2/h5-7H,4H2,1-3H3/t5-,6-,7-/m0/s1.
What are the key properties of CID 163454638?
CID 163454638 has a molecular weight of 125.00 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163454638 is sourced from PubChem (CID 163454638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).