CID 58183431

C8H16BO2 — CID 58183431

IUPAC—
SMILESCC1CC[B]C(C)C(C)(O)O1
InChIInChI=1S/C8H16BO2/c1-6-4-5-9-7(2)8(3,10)11-6/h6-7,10H,4-5H2,1-3H3
InChIKeyAWICUPMPCHBOIK-UHFFFAOYSA-N
MW155.03 g/mol
LogP1.43
Rot. Bonds

About CID 58183431

CID 58183431 (PubChem CID 58183431) has the molecular formula C8H16BO2 and a molecular weight of 155.03 g/mol.

Molecular Properties

Compound NameCID 58183431
PubChem CID58183431
Molecular FormulaC8H16BO2
Molecular Weight155.03 g/mol
Exact Mass155.12
IUPAC Name—
SMILESCC1CC[B]C(C)C(C)(O)O1
InChIInChI=1S/C8H16BO2/c1-6-4-5-9-7(2)8(3,10)11-6/h6-7,10H,4-5H2,1-3H3
InChIKeyAWICUPMPCHBOIK-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.03
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 58183500
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(2R,5R,6R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol
CID 14081354
(5R,6R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol
CID 175902392
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732
5,5-dimethyloxolan-2-ol;ethane
CID 142894626
2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol
CID 23346571
2,4-dimethyloxetane-2,3-diol
CID 142770026
(2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol
CID 11074667
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
3,3,5-trimethyl-1,2,4-trioxepane
CID 142598026
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938

Frequently Asked Questions

What is the IUPAC name of CID 58183431?
The IUPAC name of CID 58183431 (CID 58183431) is not available.
What is the SMILES notation for CID 58183431?
The canonical SMILES for CID 58183431 is CC1CC[B]C(C)C(C)(O)O1.
What is the InChIKey of CID 58183431?
The InChIKey is AWICUPMPCHBOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BO2/c1-6-4-5-9-7(2)8(3,10)11-6/h6-7,10H,4-5H2,1-3H3.
What are the key properties of CID 58183431?
CID 58183431 has a molecular weight of 155.03 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58183431 is sourced from PubChem (CID 58183431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).