4-ethylcyclohexan-1-ol;formic acid

C9H18O3 — CID 175472240

IUPAC4-ethylcyclohexan-1-ol;formic acid
SMILESCCC1CCC(O)CC1.O=CO
InChIInChI=1S/C8H16O.CH2O2/c1-2-7-3-5-8(9)6-4-7;2-1-3/h7-9H,2-6H2,1H3;1H,(H,2,3)
InChIKeyNIJQRHOIENWNNJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.65
Rot. Bonds1

About 4-ethylcyclohexan-1-ol;formic acid

4-ethylcyclohexan-1-ol;formic acid (PubChem CID 175472240) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-ethylcyclohexan-1-ol;formic acid.

Molecular Properties

Compound Name4-ethylcyclohexan-1-ol;formic acid
PubChem CID175472240
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name4-ethylcyclohexan-1-ol;formic acid
SMILESCCC1CCC(O)CC1.O=CO
InChIInChI=1S/C8H16O.CH2O2/c1-2-7-3-5-8(9)6-4-7;2-1-3/h7-9H,2-6H2,1H3;1H,(H,2,3)
InChIKeyNIJQRHOIENWNNJ-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.65
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 4-ethylcyclohexan-1-ol;formic acid?
The IUPAC name of 4-ethylcyclohexan-1-ol;formic acid (CID 175472240) is 4-ethylcyclohexan-1-ol;formic acid.
What is the SMILES notation for 4-ethylcyclohexan-1-ol;formic acid?
The canonical SMILES for 4-ethylcyclohexan-1-ol;formic acid is CCC1CCC(O)CC1.O=CO.
What is the InChIKey of 4-ethylcyclohexan-1-ol;formic acid?
The InChIKey is NIJQRHOIENWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.CH2O2/c1-2-7-3-5-8(9)6-4-7;2-1-3/h7-9H,2-6H2,1H3;1H,(H,2,3).
What are the key properties of 4-ethylcyclohexan-1-ol;formic acid?
4-ethylcyclohexan-1-ol;formic acid has a molecular weight of 174.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclohexan-1-ol;formic acid is sourced from PubChem (CID 175472240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).