bis[2-(4-hydroxycyclohexyl)ethyl] carbonate

C17H30O5 — CID 140760910

IUPACbis[2-(4-hydroxycyclohexyl)ethyl] carbonate
SMILESO=C(OCCC1CCC(O)CC1)OCCC1CCC(O)CC1
InChIInChI=1S/C17H30O5/c18-15-5-1-13(2-6-15)9-11-21-17(20)22-12-10-14-3-7-16(19)8-4-14/h13-16,18-19H,1-12H2
InChIKeyYWYMGLQYYXULLQ-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.02
Rot. Bonds6

About bis[2-(4-hydroxycyclohexyl)ethyl] carbonate

bis[2-(4-hydroxycyclohexyl)ethyl] carbonate (PubChem CID 140760910) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is bis[2-(4-hydroxycyclohexyl)ethyl] carbonate.

Molecular Properties

Compound Namebis[2-(4-hydroxycyclohexyl)ethyl] carbonate
PubChem CID140760910
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Namebis[2-(4-hydroxycyclohexyl)ethyl] carbonate
SMILESO=C(OCCC1CCC(O)CC1)OCCC1CCC(O)CC1
InChIInChI=1S/C17H30O5/c18-15-5-1-13(2-6-15)9-11-21-17(20)22-12-10-14-3-7-16(19)8-4-14/h13-16,18-19H,1-12H2
InChIKeyYWYMGLQYYXULLQ-UHFFFAOYSA-N
XLogP3.02
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

carbonochloridoyl 2-cyclopropylethyl carbonate
CID 175539092
2-cyclopentylethyl methyl carbonate
CID 66771150
N-(2-cyclopropylethoxymethoxy)acetamide
CID 139698725
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
2-cyclopropylethyl 2-aminobutanoate
CID 106202655
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
bis(2-cyclopentylethyl) propanedioate
CID 67140627
3-(2-cyclopropylethoxy)cyclobutan-1-ol
CID 106207202
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
2-amino-2-cyclopropyl-3-(2-cyclopropylethoxy)propanoic acid
CID 106204435
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-hydroxycyclohexyl)ethyl] carbonate?
The IUPAC name of bis[2-(4-hydroxycyclohexyl)ethyl] carbonate (CID 140760910) is bis[2-(4-hydroxycyclohexyl)ethyl] carbonate.
What is the SMILES notation for bis[2-(4-hydroxycyclohexyl)ethyl] carbonate?
The canonical SMILES for bis[2-(4-hydroxycyclohexyl)ethyl] carbonate is O=C(OCCC1CCC(O)CC1)OCCC1CCC(O)CC1.
What is the InChIKey of bis[2-(4-hydroxycyclohexyl)ethyl] carbonate?
The InChIKey is YWYMGLQYYXULLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c18-15-5-1-13(2-6-15)9-11-21-17(20)22-12-10-14-3-7-16(19)8-4-14/h13-16,18-19H,1-12H2.
What are the key properties of bis[2-(4-hydroxycyclohexyl)ethyl] carbonate?
bis[2-(4-hydroxycyclohexyl)ethyl] carbonate has a molecular weight of 314.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-hydroxycyclohexyl)ethyl] carbonate is sourced from PubChem (CID 140760910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).