2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol

C13H26O3 — CID 112588831

IUPAC2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol
SMILESCC(C)(C)OCCOCCC1CCCC1O
InChIInChI=1S/C13H26O3/c1-13(2,3)16-10-9-15-8-7-11-5-4-6-12(11)14/h11-12,14H,4-10H2,1-3H3
InChIKeyQSCHODKXYKMIBY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.37
Rot. Bonds6

About 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol

2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol (PubChem CID 112588831) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol
PubChem CID112588831
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol
SMILESCC(C)(C)OCCOCCC1CCCC1O
InChIInChI=1S/C13H26O3/c1-13(2,3)16-10-9-15-8-7-11-5-4-6-12(11)14/h11-12,14H,4-10H2,1-3H3
InChIKeyQSCHODKXYKMIBY-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Anhydro-1,3-dideoxy-2-propylpentitol
CID 34709
5,5-Dipropyloxolan-3-ol
CID 34711
trans-4-Butyl-3-hydroxytetrahydropyran
CID 134159433
2-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
CID 79564284
4-Butyloxolan-3-ol
CID 15647312
[2-(Propan-2-yloxymethyl)cyclopentyl]methanol
CID 18710478
2-(5-Ethyl-3-methoxy-4-methyloxolan-2-yl)ethanol
CID 18716209
2-(2-Butylcyclopentyl)oxyethanol
CID 58242172
(2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol
CID 58508376
(2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 59202690
1-(2-Hydroxyethoxymethyl)-2-methylcyclopentan-1-ol
CID 67375723
1-Cyclohexyl-1-cyclopentyloxypropan-2-ol
CID 67782528

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol (CID 112588831) is 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol is CC(C)(C)OCCOCCC1CCCC1O.
What is the InChIKey of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol?
The InChIKey is QSCHODKXYKMIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-13(2,3)16-10-9-15-8-7-11-5-4-6-12(11)14/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol?
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 112588831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).