[1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol

C14H22O4 — CID 20652085

IUPAC[1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol
SMILESCCOC(C)OC1OC=C(C)C2CC=C(CO)C12
InChIInChI=1S/C14H22O4/c1-4-16-10(3)18-14-13-11(7-15)5-6-12(13)9(2)8-17-14/h5,8,10,12-15H,4,6-7H2,1-3H3
InChIKeyGYXHNDXCDZPVOE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.20
Rot. Bonds5

About [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol

[1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol (PubChem CID 20652085) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol.

Molecular Properties

Compound Name[1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol
PubChem CID20652085
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol
SMILESCCOC(C)OC1OC=C(C)C2CC=C(CO)C12
InChIInChI=1S/C14H22O4/c1-4-16-10(3)18-14-13-11(7-15)5-6-12(13)9(2)8-17-14/h5,8,10,12-15H,4,6-7H2,1-3H3
InChIKeyGYXHNDXCDZPVOE-UHFFFAOYSA-N
XLogP2.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
The IUPAC name of [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol (CID 20652085) is [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol.
What is the SMILES notation for [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
The canonical SMILES for [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol is CCOC(C)OC1OC=C(C)C2CC=C(CO)C12.
What is the InChIKey of [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
The InChIKey is GYXHNDXCDZPVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-16-10(3)18-14-13-11(7-15)5-6-12(13)9(2)8-17-14/h5,8,10,12-15H,4,6-7H2,1-3H3.
What are the key properties of [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
[1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxyethoxy)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol is sourced from PubChem (CID 20652085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).