1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate

C14H26O4 — CID 11642081

IUPAC1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
SMILESCC1CCC(C(C)C)C(OC(=O)OC(C)CO)C1
InChIInChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h9-13,15H,5-8H2,1-4H3
InChIKeyILYLFTONJARHOX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.98
Rot. Bonds4

About 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate

1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate (PubChem CID 11642081) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
PubChem CID11642081
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
SMILESCC1CCC(C(C)C)C(OC(=O)OC(C)CO)C1
InChIInChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h9-13,15H,5-8H2,1-4H3
InChIKeyILYLFTONJARHOX-UHFFFAOYSA-N
XLogP2.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The IUPAC name of 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate (CID 11642081) is 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate.
What is the SMILES notation for 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The canonical SMILES for 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate is CC1CCC(C(C)C)C(OC(=O)OC(C)CO)C1.
What is the InChIKey of 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The InChIKey is ILYLFTONJARHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate has a molecular weight of 258.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate is sourced from PubChem (CID 11642081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).