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

C17H30O4 — CID 23525853

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2(C)COC(C)(C)O2)C1
InChIInChI=1S/C17H30O4/c1-11(2)13-8-7-12(3)9-14(13)20-15(18)17(6)10-19-16(4,5)21-17/h11-14H,7-10H2,1-6H3
InChIKeyJURHKIRYVABLBP-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.53
Rot. Bonds3

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

(5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 23525853) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
PubChem CID23525853
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2(C)COC(C)(C)O2)C1
InChIInChI=1S/C17H30O4/c1-11(2)13-8-7-12(3)9-14(13)20-15(18)17(6)10-19-16(4,5)21-17/h11-14H,7-10H2,1-6H3
InChIKeyJURHKIRYVABLBP-UHFFFAOYSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.53
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) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate (CID 23525853) is (5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate is CC1CCC(C(C)C)C(OC(=O)C2(C)COC(C)(C)O2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is JURHKIRYVABLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-11(2)13-8-7-12(3)9-14(13)20-15(18)17(6)10-19-16(4,5)21-17/h11-14H,7-10H2,1-6H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 298.42 g/mol, XLogP of 3.53, 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) 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 23525853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).