4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol

C19H38O10 — CID 159828017

IUPAC4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol
SMILESCOCC(OC)C1CC(O)C(OC)C1OC.COCC1OC(O)C(OC)C1OC
InChIInChI=1S/C11H22O5.C8H16O5/c1-13-6-9(14-2)7-5-8(12)11(16-4)10(7)15-3;1-10-4-5-6(11-2)7(12-3)8(9)13-5/h7-12H,5-6H2,1-4H3;5-9H,4H2,1-3H3
InChIKeyNNCCPFSUPKSTPA-UHFFFAOYSA-N
MW426.50 g/mol
LogP-0.56
Rot. Bonds10

About 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol

4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol (PubChem CID 159828017) has the molecular formula C19H38O10 and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol
PubChem CID159828017
Molecular FormulaC19H38O10
Molecular Weight426.50 g/mol
Exact Mass426.25
IUPAC Name4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol
SMILESCOCC(OC)C1CC(O)C(OC)C1OC.COCC1OC(O)C(OC)C1OC
InChIInChI=1S/C11H22O5.C8H16O5/c1-13-6-9(14-2)7-5-8(12)11(16-4)10(7)15-3;1-10-4-5-6(11-2)7(12-3)8(9)13-5/h7-12H,5-6H2,1-4H3;5-9H,4H2,1-3H3
InChIKeyNNCCPFSUPKSTPA-UHFFFAOYSA-N
XLogP-0.56
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol?
The IUPAC name of 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol (CID 159828017) is 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol.
What is the SMILES notation for 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol?
The canonical SMILES for 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol is COCC(OC)C1CC(O)C(OC)C1OC.COCC1OC(O)C(OC)C1OC.
What is the InChIKey of 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol?
The InChIKey is NNCCPFSUPKSTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5.C8H16O5/c1-13-6-9(14-2)7-5-8(12)11(16-4)10(7)15-3;1-10-4-5-6(11-2)7(12-3)8(9)13-5/h7-12H,5-6H2,1-4H3;5-9H,4H2,1-3H3.
What are the key properties of 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol?
4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol has a molecular weight of 426.50 g/mol, XLogP of -0.56, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol;3,4-dimethoxy-5-(methoxymethyl)oxolan-2-ol is sourced from PubChem (CID 159828017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).