1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane

C13H26O2 — CID 86091262

IUPAC1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane
SMILESCCCCC1(COCC)CCCC1OC
InChIInChI=1S/C13H26O2/c1-4-6-9-13(11-15-5-2)10-7-8-12(13)14-3/h12H,4-11H2,1-3H3
InChIKeyTXTXKVYCUGEQIB-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.40
Rot. Bonds7

About 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane

1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane (PubChem CID 86091262) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane.

Molecular Properties

Compound Name1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane
PubChem CID86091262
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane
SMILESCCCCC1(COCC)CCCC1OC
InChIInChI=1S/C13H26O2/c1-4-6-9-13(11-15-5-2)10-7-8-12(13)14-3/h12H,4-11H2,1-3H3
InChIKeyTXTXKVYCUGEQIB-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane
CID 86091302
1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane
CID 140997941
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
1-butyl-1,3-dimethoxycyclohexane
CID 140988786
2-ethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclopentane
CID 86091292
(1-butyl-2-methoxycyclohexyl) prop-2-enoate
CID 58734591
1,1-dibutyl-2-ethylcyclobutane
CID 123938978
2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
CID 139913828
2-[2-methoxy-1-(propylamino)cyclohexyl]ethanol
CID 106874602
cis-(1R,2R)-1-bromo-2-methoxy-1-methylcyclopentane
CID 130883538
3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane?
The IUPAC name of 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane (CID 86091262) is 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane.
What is the SMILES notation for 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane?
The canonical SMILES for 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane is CCCCC1(COCC)CCCC1OC.
What is the InChIKey of 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane?
The InChIKey is TXTXKVYCUGEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-9-13(11-15-5-2)10-7-8-12(13)14-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane?
1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane has a molecular weight of 214.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(ethoxymethyl)-2-methoxycyclopentane is sourced from PubChem (CID 86091262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).