2-(2-heptoxyethyl)cyclopentan-1-ol

C14H28O2 — CID 79563672

IUPAC2-(2-heptoxyethyl)cyclopentan-1-ol
SMILESCCCCCCCOCCC1CCCC1O
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-11-16-12-10-13-8-7-9-14(13)15/h13-15H,2-12H2,1H3
InChIKeyZPGKRPJLBWGJMD-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds9

About 2-(2-heptoxyethyl)cyclopentan-1-ol

2-(2-heptoxyethyl)cyclopentan-1-ol (PubChem CID 79563672) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(2-heptoxyethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-heptoxyethyl)cyclopentan-1-ol
PubChem CID79563672
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(2-heptoxyethyl)cyclopentan-1-ol
SMILESCCCCCCCOCCC1CCCC1O
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-11-16-12-10-13-8-7-9-14(13)15/h13-15H,2-12H2,1H3
InChIKeyZPGKRPJLBWGJMD-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propoxyethyl)cyclopentan-1-ol
CID 79564356
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
CID 56971486
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-ol
CID 104564618
2-[2-(2-ethylhexoxy)ethyl]cyclopentan-1-ol
CID 79563901
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol
CID 112588831
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
ethyl formate;2-hexylcyclopentan-1-ol
CID 161366289
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol
CID 104565818
(1R)-2-propylcyclohexan-1-ol
CID 144627240
2-[2-(2-methylpropoxy)ethyl]cyclohexan-1-ol
CID 106455939

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptoxyethyl)cyclopentan-1-ol?
The IUPAC name of 2-(2-heptoxyethyl)cyclopentan-1-ol (CID 79563672) is 2-(2-heptoxyethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(2-heptoxyethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(2-heptoxyethyl)cyclopentan-1-ol is CCCCCCCOCCC1CCCC1O.
What is the InChIKey of 2-(2-heptoxyethyl)cyclopentan-1-ol?
The InChIKey is ZPGKRPJLBWGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-3-4-5-6-11-16-12-10-13-8-7-9-14(13)15/h13-15H,2-12H2,1H3.
What are the key properties of 2-(2-heptoxyethyl)cyclopentan-1-ol?
2-(2-heptoxyethyl)cyclopentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptoxyethyl)cyclopentan-1-ol is sourced from PubChem (CID 79563672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).