1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol

C14H26O3 — CID 116753033

IUPAC1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
SMILESCCOC1(C(O)CC2CCOCC2)CCCC1
InChIInChI=1S/C14H26O3/c1-2-17-14(7-3-4-8-14)13(15)11-12-5-9-16-10-6-12/h12-13,15H,2-11H2,1H3
InChIKeyKDPSMMKFMYFTLE-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.51
Rot. Bonds5

About 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol

1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol (PubChem CID 116753033) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
PubChem CID116753033
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
SMILESCCOC1(C(O)CC2CCOCC2)CCCC1
InChIInChI=1S/C14H26O3/c1-2-17-14(7-3-4-8-14)13(15)11-12-5-9-16-10-6-12/h12-13,15H,2-11H2,1H3
InChIKeyKDPSMMKFMYFTLE-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
CID 116755946
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(1-ethoxycycloheptyl)but-3-en-1-ol
CID 116756161
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol
CID 79081968
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol (CID 116753033) is 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol is CCOC1(C(O)CC2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol?
The InChIKey is KDPSMMKFMYFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-17-14(7-3-4-8-14)13(15)11-12-5-9-16-10-6-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol?
1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol has a molecular weight of 242.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 116753033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).