5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate

C15H25O4- — CID 18714537

IUPAC5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate
SMILESCC1CCC(C(C)C)C(OC(=O)CCCC(=O)[O-])C1
InChIInChI=1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/p-1
InChIKeyCTMTYSVTTGVYAW-UHFFFAOYSA-M
MW269.36 g/mol
LogP1.91
Rot. Bonds6

About 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate

5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate (PubChem CID 18714537) has the molecular formula C15H25O4- and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate.

Molecular Properties

Compound Name5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate
PubChem CID18714537
Molecular FormulaC15H25O4-
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate
SMILESCC1CCC(C(C)C)C(OC(=O)CCCC(=O)[O-])C1
InChIInChI=1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/p-1
InChIKeyCTMTYSVTTGVYAW-UHFFFAOYSA-M
XLogP1.91
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate?
The IUPAC name of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate (CID 18714537) is 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate.
What is the SMILES notation for 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate?
The canonical SMILES for 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate is CC1CCC(C(C)C)C(OC(=O)CCCC(=O)[O-])C1.
What is the InChIKey of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate?
The InChIKey is CTMTYSVTTGVYAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/p-1.
What are the key properties of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate?
5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate has a molecular weight of 269.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate is sourced from PubChem (CID 18714537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).