(2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate

C15H28O3 — CID 91700651

IUPAC(2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1CC(C(C)C)CCC1C
InChIInChI=1S/C15H28O3/c1-10(2)9-17-15(16)18-14-8-13(11(3)4)7-6-12(14)5/h10-14H,6-9H2,1-5H3
InChIKeyPGHOXPDMVFUFQE-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.26
Rot. Bonds4

About (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate

(2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate (PubChem CID 91700651) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate
PubChem CID91700651
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1CC(C(C)C)CCC1C
InChIInChI=1S/C15H28O3/c1-10(2)9-17-15(16)18-14-8-13(11(3)4)7-6-12(14)5/h10-14H,6-9H2,1-5H3
InChIKeyPGHOXPDMVFUFQE-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate?
The IUPAC name of (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate (CID 91700651) is (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate.
What is the SMILES notation for (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate?
The canonical SMILES for (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate is CC(C)COC(=O)OC1CC(C(C)C)CCC1C.
What is the InChIKey of (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate?
The InChIKey is PGHOXPDMVFUFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-10(2)9-17-15(16)18-14-8-13(11(3)4)7-6-12(14)5/h10-14H,6-9H2,1-5H3.
What are the key properties of (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate?
(2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate has a molecular weight of 256.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylcyclohexyl) 2-methylpropyl carbonate is sourced from PubChem (CID 91700651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).