(1-ethoxycyclopentyl)-(oxan-3-yl)methanol

C13H24O3 — CID 107136224

IUPAC(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
SMILESCCOC1(C(O)C2CCCOC2)CCCC1
InChIInChI=1S/C13H24O3/c1-2-16-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h11-12,14H,2-10H2,1H3
InChIKeyQLVWHEDNQDELNE-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.12
Rot. Bonds4

About (1-ethoxycyclopentyl)-(oxan-3-yl)methanol

(1-ethoxycyclopentyl)-(oxan-3-yl)methanol (PubChem CID 107136224) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
PubChem CID107136224
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
SMILESCCOC1(C(O)C2CCCOC2)CCCC1
InChIInChI=1S/C13H24O3/c1-2-16-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h11-12,14H,2-10H2,1H3
InChIKeyQLVWHEDNQDELNE-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(oxan-3-yl)methanol?
The IUPAC name of (1-ethoxycyclopentyl)-(oxan-3-yl)methanol (CID 107136224) is (1-ethoxycyclopentyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (1-ethoxycyclopentyl)-(oxan-3-yl)methanol?
The canonical SMILES for (1-ethoxycyclopentyl)-(oxan-3-yl)methanol is CCOC1(C(O)C2CCCOC2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(oxan-3-yl)methanol?
The InChIKey is QLVWHEDNQDELNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-16-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h11-12,14H,2-10H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-(oxan-3-yl)methanol?
(1-ethoxycyclopentyl)-(oxan-3-yl)methanol has a molecular weight of 228.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107136224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).