[(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate

C15H24O4 — CID 10754383

IUPAC[(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate
SMILESCC(=O)CC[C@@H](OC=O)[C@]1(C)CCCC(C)(C)C1=O
InChIInChI=1S/C15H24O4/c1-11(17)6-7-12(19-10-16)15(4)9-5-8-14(2,3)13(15)18/h10,12H,5-9H2,1-4H3/t12-,15+/m1/s1
InChIKeyOSVHEUJSRDQUMA-DOMZBBRYSA-N
MW268.35 g/mol
LogP2.68
Rot. Bonds6

About [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate

[(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate (PubChem CID 10754383) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate.

Molecular Properties

Compound Name[(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate
PubChem CID10754383
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate
SMILESCC(=O)CC[C@@H](OC=O)[C@]1(C)CCCC(C)(C)C1=O
InChIInChI=1S/C15H24O4/c1-11(17)6-7-12(19-10-16)15(4)9-5-8-14(2,3)13(15)18/h10,12H,5-9H2,1-4H3/t12-,15+/m1/s1
InChIKeyOSVHEUJSRDQUMA-DOMZBBRYSA-N
XLogP2.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate?
The IUPAC name of [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate (CID 10754383) is [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate.
What is the SMILES notation for [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate?
The canonical SMILES for [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate is CC(=O)CC[C@@H](OC=O)[C@]1(C)CCCC(C)(C)C1=O.
What is the InChIKey of [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate?
The InChIKey is OSVHEUJSRDQUMA-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24O4/c1-11(17)6-7-12(19-10-16)15(4)9-5-8-14(2,3)13(15)18/h10,12H,5-9H2,1-4H3/t12-,15+/m1/s1.
What are the key properties of [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate?
[(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate has a molecular weight of 268.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl] formate is sourced from PubChem (CID 10754383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).