CID 101032615

C10H17O2 — CID 101032615

IUPAC—
SMILES[CH2][C@@H]1C[C@H](/C=C/C)O[C@H](CC)O1
InChIInChI=1S/C10H17O2/c1-4-6-9-7-8(3)11-10(5-2)12-9/h4,6,8-10H,3,5,7H2,1-2H3/b6-4+/t8-,9+,10-/m1/s1
InChIKeyBKMYVVWAHJGYCL-GNUIUXQCSA-N
MW169.24 g/mol
LogP2.31
Rot. Bonds2

About CID 101032615

CID 101032615 (PubChem CID 101032615) has the molecular formula C10H17O2 and a molecular weight of 169.24 g/mol.

Molecular Properties

Compound NameCID 101032615
PubChem CID101032615
Molecular FormulaC10H17O2
Molecular Weight169.24 g/mol
Exact Mass169.12
IUPAC Name—
SMILES[CH2][C@@H]1C[C@H](/C=C/C)O[C@H](CC)O1
InChIInChI=1S/C10H17O2/c1-4-6-9-7-8(3)11-10(5-2)12-9/h4,6,8-10H,3,5,7H2,1-2H3/b6-4+/t8-,9+,10-/m1/s1
InChIKeyBKMYVVWAHJGYCL-GNUIUXQCSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101032615?
The IUPAC name of CID 101032615 (CID 101032615) is not available.
What is the SMILES notation for CID 101032615?
The canonical SMILES for CID 101032615 is [CH2][C@@H]1C[C@H](/C=C/C)O[C@H](CC)O1.
What is the InChIKey of CID 101032615?
The InChIKey is BKMYVVWAHJGYCL-GNUIUXQCSA-N. The full InChI is InChI=1S/C10H17O2/c1-4-6-9-7-8(3)11-10(5-2)12-9/h4,6,8-10H,3,5,7H2,1-2H3/b6-4+/t8-,9+,10-/m1/s1.
What are the key properties of CID 101032615?
CID 101032615 has a molecular weight of 169.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101032615 is sourced from PubChem (CID 101032615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).