1-(butoxymethoxymethyl)-2-butylcyclopentane

C15H30O2 — CID 90221664

IUPAC1-(butoxymethoxymethyl)-2-butylcyclopentane
SMILESCCCCOCOCC1CCCC1CCCC
InChIInChI=1S/C15H30O2/c1-3-5-8-14-9-7-10-15(14)12-17-13-16-11-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyFCILJGWLKWVVEZ-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.38
Rot. Bonds10

About 1-(butoxymethoxymethyl)-2-butylcyclopentane

1-(butoxymethoxymethyl)-2-butylcyclopentane (PubChem CID 90221664) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(butoxymethoxymethyl)-2-butylcyclopentane.

Molecular Properties

Compound Name1-(butoxymethoxymethyl)-2-butylcyclopentane
PubChem CID90221664
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(butoxymethoxymethyl)-2-butylcyclopentane
SMILESCCCCOCOCC1CCCC1CCCC
InChIInChI=1S/C15H30O2/c1-3-5-8-14-9-7-10-15(14)12-17-13-16-11-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyFCILJGWLKWVVEZ-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 109187
CID 109187
CID 58205791
CID 58205791
CID 25004186
CID 25004186
CID 58449962
CID 58449962
CID 68663777
CID 68663777
CID 149983547
CID 149983547
CID 14465404
CID 14465404
CID 134854828
CID 134854828
CID 40561591
CID 40561591
CID 10955388
CID 10955388
CID 12159028
CID 12159028
CID 13163942
CID 13163942

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethoxymethyl)-2-butylcyclopentane?
The IUPAC name of 1-(butoxymethoxymethyl)-2-butylcyclopentane (CID 90221664) is 1-(butoxymethoxymethyl)-2-butylcyclopentane.
What is the SMILES notation for 1-(butoxymethoxymethyl)-2-butylcyclopentane?
The canonical SMILES for 1-(butoxymethoxymethyl)-2-butylcyclopentane is CCCCOCOCC1CCCC1CCCC.
What is the InChIKey of 1-(butoxymethoxymethyl)-2-butylcyclopentane?
The InChIKey is FCILJGWLKWVVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-5-8-14-9-7-10-15(14)12-17-13-16-11-6-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-(butoxymethoxymethyl)-2-butylcyclopentane?
1-(butoxymethoxymethyl)-2-butylcyclopentane has a molecular weight of 242.40 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethoxymethyl)-2-butylcyclopentane is sourced from PubChem (CID 90221664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).