(5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate

C16H28O4 — CID 67434133

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2COC(C)(C)O2)C1
InChIInChI=1S/C16H28O4/c1-10(2)12-7-6-11(3)8-13(12)19-15(17)14-9-18-16(4,5)20-14/h10-14H,6-9H2,1-5H3
InChIKeyYKZAHLJUGOWSSE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.14
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 67434133) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID67434133
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2COC(C)(C)O2)C1
InChIInChI=1S/C16H28O4/c1-10(2)12-7-6-11(3)8-13(12)19-15(17)14-9-18-16(4,5)20-14/h10-14H,6-9H2,1-5H3
InChIKeyYKZAHLJUGOWSSE-UHFFFAOYSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 67434133) is (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate is CC1CCC(C(C)C)C(OC(=O)C2COC(C)(C)O2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is YKZAHLJUGOWSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-10(2)12-7-6-11(3)8-13(12)19-15(17)14-9-18-16(4,5)20-14/h10-14H,6-9H2,1-5H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 67434133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).