2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate

C13H24O4 — CID 138488184

IUPAC2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate
SMILESCC(C)C1CCC(C)(OC(=O)OCCO)CC1
InChIInChI=1S/C13H24O4/c1-10(2)11-4-6-13(3,7-5-11)17-12(15)16-9-8-14/h10-11,14H,4-9H2,1-3H3
InChIKeyJMBXKGABBKJKFO-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.74
Rot. Bonds4

About 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate

2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate (PubChem CID 138488184) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate.

Molecular Properties

Compound Name2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate
PubChem CID138488184
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate
SMILESCC(C)C1CCC(C)(OC(=O)OCCO)CC1
InChIInChI=1S/C13H24O4/c1-10(2)11-4-6-13(3,7-5-11)17-12(15)16-9-8-14/h10-11,14H,4-9H2,1-3H3
InChIKeyJMBXKGABBKJKFO-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate?
The IUPAC name of 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate (CID 138488184) is 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate.
What is the SMILES notation for 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate?
The canonical SMILES for 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate is CC(C)C1CCC(C)(OC(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate?
The InChIKey is JMBXKGABBKJKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-10(2)11-4-6-13(3,7-5-11)17-12(15)16-9-8-14/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate?
2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate has a molecular weight of 244.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate is sourced from PubChem (CID 138488184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).