ethyl formate;2-hexylcyclopentan-1-ol

C14H28O3 — CID 161366289

IUPACethyl formate;2-hexylcyclopentan-1-ol
SMILESCCCCCCC1CCCC1O.CCOC=O
InChIInChI=1S/C11H22O.C3H6O2/c1-2-3-4-5-7-10-8-6-9-11(10)12;1-2-5-3-4/h10-12H,2-9H2,1H3;3H,2H2,1H3
InChIKeyVPVXOTGDTLADQW-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.30
Rot. Bonds7

About ethyl formate;2-hexylcyclopentan-1-ol

ethyl formate;2-hexylcyclopentan-1-ol (PubChem CID 161366289) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is ethyl formate;2-hexylcyclopentan-1-ol.

Molecular Properties

Compound Nameethyl formate;2-hexylcyclopentan-1-ol
PubChem CID161366289
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Nameethyl formate;2-hexylcyclopentan-1-ol
SMILESCCCCCCC1CCCC1O.CCOC=O
InChIInChI=1S/C11H22O.C3H6O2/c1-2-3-4-5-7-10-8-6-9-11(10)12;1-2-5-3-4/h10-12H,2-9H2,1H3;3H,2H2,1H3
InChIKeyVPVXOTGDTLADQW-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
ethyl formate;heptane
CID 159019275
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
benzene;ethyl formate;hexane
CID 174516093
cyclopropanol;ethyl formate
CID 157277391
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
CID 56971486

Frequently Asked Questions

What is the IUPAC name of ethyl formate;2-hexylcyclopentan-1-ol?
The IUPAC name of ethyl formate;2-hexylcyclopentan-1-ol (CID 161366289) is ethyl formate;2-hexylcyclopentan-1-ol.
What is the SMILES notation for ethyl formate;2-hexylcyclopentan-1-ol?
The canonical SMILES for ethyl formate;2-hexylcyclopentan-1-ol is CCCCCCC1CCCC1O.CCOC=O.
What is the InChIKey of ethyl formate;2-hexylcyclopentan-1-ol?
The InChIKey is VPVXOTGDTLADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C3H6O2/c1-2-3-4-5-7-10-8-6-9-11(10)12;1-2-5-3-4/h10-12H,2-9H2,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;2-hexylcyclopentan-1-ol?
ethyl formate;2-hexylcyclopentan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;2-hexylcyclopentan-1-ol is sourced from PubChem (CID 161366289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).