CID 58173251

C10H17BOY-2 — CID 58173251

IUPAC—
SMILES[B][C@H]1[CH-][C@@H](C)C(CC)(CC[CH2-])O1.[Y]
InChIInChI=1S/C10H17BO.Y/c1-4-6-10(5-2)8(3)7-9(11)12-10;/h7-9H,1,4-6H2,2-3H3;/q-2;/t8-,9-,10?;/m1./s1
InChIKeyHTFIOJHSCKVFMW-FBFVXXOASA-N
MW252.96 g/mol
LogP2.11
Rot. Bonds3

About CID 58173251

CID 58173251 (PubChem CID 58173251) has the molecular formula C10H17BOY-2 and a molecular weight of 252.96 g/mol.

Molecular Properties

Compound NameCID 58173251
PubChem CID58173251
Molecular FormulaC10H17BOY-2
Molecular Weight252.96 g/mol
Exact Mass253.04
IUPAC Name—
SMILES[B][C@H]1[CH-][C@@H](C)C(CC)(CC[CH2-])O1.[Y]
InChIInChI=1S/C10H17BO.Y/c1-4-6-10(5-2)8(3)7-9(11)12-10;/h7-9H,1,4-6H2,2-3H3;/q-2;/t8-,9-,10?;/m1./s1
InChIKeyHTFIOJHSCKVFMW-FBFVXXOASA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.96
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58173251?
The IUPAC name of CID 58173251 (CID 58173251) is not available.
What is the SMILES notation for CID 58173251?
The canonical SMILES for CID 58173251 is [B][C@H]1[CH-][C@@H](C)C(CC)(CC[CH2-])O1.[Y].
What is the InChIKey of CID 58173251?
The InChIKey is HTFIOJHSCKVFMW-FBFVXXOASA-N. The full InChI is InChI=1S/C10H17BO.Y/c1-4-6-10(5-2)8(3)7-9(11)12-10;/h7-9H,1,4-6H2,2-3H3;/q-2;/t8-,9-,10?;/m1./s1.
What are the key properties of CID 58173251?
CID 58173251 has a molecular weight of 252.96 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58173251 is sourced from PubChem (CID 58173251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).