1-butoxy-1-propylcyclopentane

C12H24O — CID 57023606

IUPAC1-butoxy-1-propylcyclopentane
SMILESCCCCOC1(CCC)CCCC1
InChIInChI=1S/C12H24O/c1-3-5-11-13-12(8-4-2)9-6-7-10-12/h3-11H2,1-2H3
InChIKeyHDZKQIFGSFAYGK-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds6

About 1-butoxy-1-propylcyclopentane

1-butoxy-1-propylcyclopentane (PubChem CID 57023606) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-butoxy-1-propylcyclopentane.

Molecular Properties

Compound Name1-butoxy-1-propylcyclopentane
PubChem CID57023606
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-butoxy-1-propylcyclopentane
SMILESCCCCOC1(CCC)CCCC1
InChIInChI=1S/C12H24O/c1-3-5-11-13-12(8-4-2)9-6-7-10-12/h3-11H2,1-2H3
InChIKeyHDZKQIFGSFAYGK-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diethyl-tetrahydro-furan
CID 12476217
3-((1,1-Dimethylethoxy)methyl)heptane
CID 545858
Furan, 2-butyltetrahydro-2-methyl-
CID 10877221
1-Ethyl-cyclopentyl methyl ether
CID 21039860
Dipropylather
CID 59678235
5-Butyl-5-methoxynonane
CID 85981833
Dibutylather
CID 129631389
Di-n-butyl di-n-butyl ether
CID 145738666
2,2-Dibutyl-tetrahydro-furan
CID 11735569
2-Butyl-2-methyl tetrahydrofuran
CID 12570319
Di-isoamylather
CID 129630955
Diamylather
CID 129633647

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-1-propylcyclopentane?
The IUPAC name of 1-butoxy-1-propylcyclopentane (CID 57023606) is 1-butoxy-1-propylcyclopentane.
What is the SMILES notation for 1-butoxy-1-propylcyclopentane?
The canonical SMILES for 1-butoxy-1-propylcyclopentane is CCCCOC1(CCC)CCCC1.
What is the InChIKey of 1-butoxy-1-propylcyclopentane?
The InChIKey is HDZKQIFGSFAYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-11-13-12(8-4-2)9-6-7-10-12/h3-11H2,1-2H3.
What are the key properties of 1-butoxy-1-propylcyclopentane?
1-butoxy-1-propylcyclopentane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1-propylcyclopentane is sourced from PubChem (CID 57023606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).