3,4-diethylcyclopentan-1-ol;formic acid

C10H20O3 — CID 174659465

IUPAC3,4-diethylcyclopentan-1-ol;formic acid
SMILESCCC1CC(O)CC1CC.O=CO
InChIInChI=1S/C9H18O.CH2O2/c1-3-7-5-9(10)6-8(7)4-2;2-1-3/h7-10H,3-6H2,1-2H3;1H,(H,2,3)
InChIKeyZRZDLAQIXWEYHS-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds2

About 3,4-diethylcyclopentan-1-ol;formic acid

3,4-diethylcyclopentan-1-ol;formic acid (PubChem CID 174659465) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3,4-diethylcyclopentan-1-ol;formic acid.

Molecular Properties

Compound Name3,4-diethylcyclopentan-1-ol;formic acid
PubChem CID174659465
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3,4-diethylcyclopentan-1-ol;formic acid
SMILESCCC1CC(O)CC1CC.O=CO
InChIInChI=1S/C9H18O.CH2O2/c1-3-7-5-9(10)6-8(7)4-2;2-1-3/h7-10H,3-6H2,1-2H3;1H,(H,2,3)
InChIKeyZRZDLAQIXWEYHS-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylcyclopentan-1-ol;formic acid?
The IUPAC name of 3,4-diethylcyclopentan-1-ol;formic acid (CID 174659465) is 3,4-diethylcyclopentan-1-ol;formic acid.
What is the SMILES notation for 3,4-diethylcyclopentan-1-ol;formic acid?
The canonical SMILES for 3,4-diethylcyclopentan-1-ol;formic acid is CCC1CC(O)CC1CC.O=CO.
What is the InChIKey of 3,4-diethylcyclopentan-1-ol;formic acid?
The InChIKey is ZRZDLAQIXWEYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.CH2O2/c1-3-7-5-9(10)6-8(7)4-2;2-1-3/h7-10H,3-6H2,1-2H3;1H,(H,2,3).
What are the key properties of 3,4-diethylcyclopentan-1-ol;formic acid?
3,4-diethylcyclopentan-1-ol;formic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylcyclopentan-1-ol;formic acid is sourced from PubChem (CID 174659465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).