3-ethylcyclopentan-1-ol;ethyl formate

C10H20O3 — CID 157424984

IUPAC3-ethylcyclopentan-1-ol;ethyl formate
SMILESCCC1CCC(O)C1.CCOC=O
InChIInChI=1S/C7H14O.C3H6O2/c1-2-6-3-4-7(8)5-6;1-2-5-3-4/h6-8H,2-5H2,1H3;3H,2H2,1H3
InChIKeyBPVXTBGURDYKRM-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds3

About 3-ethylcyclopentan-1-ol;ethyl formate

3-ethylcyclopentan-1-ol;ethyl formate (PubChem CID 157424984) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethylcyclopentan-1-ol;ethyl formate.

Molecular Properties

Compound Name3-ethylcyclopentan-1-ol;ethyl formate
PubChem CID157424984
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-ethylcyclopentan-1-ol;ethyl formate
SMILESCCC1CCC(O)C1.CCOC=O
InChIInChI=1S/C7H14O.C3H6O2/c1-2-6-3-4-7(8)5-6;1-2-5-3-4/h6-8H,2-5H2,1H3;3H,2H2,1H3
InChIKeyBPVXTBGURDYKRM-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropanol;ethyl formate
CID 157277391
ethyl formate;piperidin-4-ol
CID 158820537
4-ethylcyclohexan-1-ol;formic acid
CID 175472240
cyclopropanamine;ethyl formate;hydrochloride
CID 172851986
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
ethyl formate;methanol
CID 87496134
cyclobutanamine;ethyl formate;hydrochloride
CID 174777526
1-cyclobutylpropan-2-one;ethyl formate
CID 174968051
ethyl formate;7-oxabicyclo[2.2.1]heptane
CID 143754176
(4-ethylcyclohexyl) formate
CID 57083456
calcium;ethyl formate;dichloride
CID 174827324
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopentan-1-ol;ethyl formate?
The IUPAC name of 3-ethylcyclopentan-1-ol;ethyl formate (CID 157424984) is 3-ethylcyclopentan-1-ol;ethyl formate.
What is the SMILES notation for 3-ethylcyclopentan-1-ol;ethyl formate?
The canonical SMILES for 3-ethylcyclopentan-1-ol;ethyl formate is CCC1CCC(O)C1.CCOC=O.
What is the InChIKey of 3-ethylcyclopentan-1-ol;ethyl formate?
The InChIKey is BPVXTBGURDYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H6O2/c1-2-6-3-4-7(8)5-6;1-2-5-3-4/h6-8H,2-5H2,1H3;3H,2H2,1H3.
What are the key properties of 3-ethylcyclopentan-1-ol;ethyl formate?
3-ethylcyclopentan-1-ol;ethyl formate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopentan-1-ol;ethyl formate is sourced from PubChem (CID 157424984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).