CID 59869216

C10H13O2 — CID 59869216

IUPAC—
SMILESC[C@@H]1OC=C[C@H]2[CH]C=C(CO)[C@H]21
InChIInChI=1S/C10H13O2/c1-7-10-8(4-5-12-7)2-3-9(10)6-11/h2-5,7-8,10-11H,6H2,1H3/t7-,8+,10-/m0/s1
InChIKeyYYTJBNMLGKDXFB-XKSSXDPKSA-N
MW165.21 g/mol
LogP1.29
Rot. Bonds1

About CID 59869216

CID 59869216 (PubChem CID 59869216) has the molecular formula C10H13O2 and a molecular weight of 165.21 g/mol.

Molecular Properties

Compound NameCID 59869216
PubChem CID59869216
Molecular FormulaC10H13O2
Molecular Weight165.21 g/mol
Exact Mass165.09
IUPAC Name—
SMILESC[C@@H]1OC=C[C@H]2[CH]C=C(CO)[C@H]21
InChIInChI=1S/C10H13O2/c1-7-10-8(4-5-12-7)2-3-9(10)6-11/h2-5,7-8,10-11H,6H2,1H3/t7-,8+,10-/m0/s1
InChIKeyYYTJBNMLGKDXFB-XKSSXDPKSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59869216?
The IUPAC name of CID 59869216 (CID 59869216) is not available.
What is the SMILES notation for CID 59869216?
The canonical SMILES for CID 59869216 is C[C@@H]1OC=C[C@H]2[CH]C=C(CO)[C@H]21.
What is the InChIKey of CID 59869216?
The InChIKey is YYTJBNMLGKDXFB-XKSSXDPKSA-N. The full InChI is InChI=1S/C10H13O2/c1-7-10-8(4-5-12-7)2-3-9(10)6-11/h2-5,7-8,10-11H,6H2,1H3/t7-,8+,10-/m0/s1.
What are the key properties of CID 59869216?
CID 59869216 has a molecular weight of 165.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59869216 is sourced from PubChem (CID 59869216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).