CID 100933657

C8H13O — CID 100933657

IUPAC—
SMILESCO[C@@H]1[CH]C2CCC1C2
InChIInChI=1S/C8H13O/c1-9-8-5-6-2-3-7(8)4-6/h5-8H,2-4H2,1H3/t6?,7?,8-/m1/s1
InChIKeyKPRLEQKKIKEMFU-KAVNDROISA-N
MW125.19 g/mol
LogP1.64
Rot. Bonds1

About CID 100933657

CID 100933657 (PubChem CID 100933657) has the molecular formula C8H13O and a molecular weight of 125.19 g/mol.

Molecular Properties

Compound NameCID 100933657
PubChem CID100933657
Molecular FormulaC8H13O
Molecular Weight125.19 g/mol
Exact Mass125.10
IUPAC Name—
SMILESCO[C@@H]1[CH]C2CCC1C2
InChIInChI=1S/C8H13O/c1-9-8-5-6-2-3-7(8)4-6/h5-8H,2-4H2,1H3/t6?,7?,8-/m1/s1
InChIKeyKPRLEQKKIKEMFU-KAVNDROISA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 100933657?
The IUPAC name of CID 100933657 (CID 100933657) is not available.
What is the SMILES notation for CID 100933657?
The canonical SMILES for CID 100933657 is CO[C@@H]1[CH]C2CCC1C2.
What is the InChIKey of CID 100933657?
The InChIKey is KPRLEQKKIKEMFU-KAVNDROISA-N. The full InChI is InChI=1S/C8H13O/c1-9-8-5-6-2-3-7(8)4-6/h5-8H,2-4H2,1H3/t6?,7?,8-/m1/s1.
What are the key properties of CID 100933657?
CID 100933657 has a molecular weight of 125.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100933657 is sourced from PubChem (CID 100933657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).