CID 58771335

C7H13O2 — CID 58771335

IUPAC—
SMILESC[C@H]1[CH][C@@H](O)[C@@H](CO)C1
InChIInChI=1S/C7H13O2/c1-5-2-6(4-8)7(9)3-5/h3,5-9H,2,4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyMFFIOXDPVOKNFN-FSDSQADBSA-N
MW129.18 g/mol
LogP0.20
Rot. Bonds1

About CID 58771335

CID 58771335 (PubChem CID 58771335) has the molecular formula C7H13O2 and a molecular weight of 129.18 g/mol.

Molecular Properties

Compound NameCID 58771335
PubChem CID58771335
Molecular FormulaC7H13O2
Molecular Weight129.18 g/mol
Exact Mass129.09
IUPAC Name—
SMILESC[C@H]1[CH][C@@H](O)[C@@H](CO)C1
InChIInChI=1S/C7H13O2/c1-5-2-6(4-8)7(9)3-5/h3,5-9H,2,4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyMFFIOXDPVOKNFN-FSDSQADBSA-N
XLogP0.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58771335?
The IUPAC name of CID 58771335 (CID 58771335) is not available.
What is the SMILES notation for CID 58771335?
The canonical SMILES for CID 58771335 is C[C@H]1[CH][C@@H](O)[C@@H](CO)C1.
What is the InChIKey of CID 58771335?
The InChIKey is MFFIOXDPVOKNFN-FSDSQADBSA-N. The full InChI is InChI=1S/C7H13O2/c1-5-2-6(4-8)7(9)3-5/h3,5-9H,2,4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of CID 58771335?
CID 58771335 has a molecular weight of 129.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58771335 is sourced from PubChem (CID 58771335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).