CID 174249926

C10H17BO2 — CID 174249926

IUPAC—
SMILES[B]OC1[C@@H]2C[C@H](C[C@]1(C)O)C2(C)C
InChIInChI=1S/C10H17BO2/c1-9(2)6-4-7(9)8(13-11)10(3,12)5-6/h6-8,12H,4-5H2,1-3H3/t6-,7+,8?,10+/m1/s1
InChIKeyKEBNPSXWARHDRQ-ABFRNEGJSA-N
MW180.06 g/mol
LogP1.27
Rot. Bonds1

About CID 174249926

CID 174249926 (PubChem CID 174249926) has the molecular formula C10H17BO2 and a molecular weight of 180.06 g/mol.

Molecular Properties

Compound NameCID 174249926
PubChem CID174249926
Molecular FormulaC10H17BO2
Molecular Weight180.06 g/mol
Exact Mass180.13
IUPAC Name—
SMILES[B]OC1[C@@H]2C[C@H](C[C@]1(C)O)C2(C)C
InChIInChI=1S/C10H17BO2/c1-9(2)6-4-7(9)8(13-11)10(3,12)5-6/h6-8,12H,4-5H2,1-3H3/t6-,7+,8?,10+/m1/s1
InChIKeyKEBNPSXWARHDRQ-ABFRNEGJSA-N
XLogP1.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 51.27
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

CID 178032656
CID 178032656
(1S,2R,4S,6R)-2-ethynyl-5,5,6-trimethylbicyclo[2.2.1]heptan-2-ol
CID 50937774
(1S,6S)-4,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
CID 169187540
4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 72796713
4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane
CID 20778718
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
CID 57351268
(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 59057770
(1S,2S,4S)-5,5-dimethylbicyclo[2.1.1]hexane-2-carboxylic acid
CID 98513301
(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol
CID 124705432
(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 51669756

Frequently Asked Questions

What is the IUPAC name of CID 174249926?
The IUPAC name of CID 174249926 (CID 174249926) is not available.
What is the SMILES notation for CID 174249926?
The canonical SMILES for CID 174249926 is [B]OC1[C@@H]2C[C@H](C[C@]1(C)O)C2(C)C.
What is the InChIKey of CID 174249926?
The InChIKey is KEBNPSXWARHDRQ-ABFRNEGJSA-N. The full InChI is InChI=1S/C10H17BO2/c1-9(2)6-4-7(9)8(13-11)10(3,12)5-6/h6-8,12H,4-5H2,1-3H3/t6-,7+,8?,10+/m1/s1.
What are the key properties of CID 174249926?
CID 174249926 has a molecular weight of 180.06 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174249926 is sourced from PubChem (CID 174249926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).