(4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one

C17H30O3 — CID 16655057

IUPAC(4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one
SMILESCCCCCCC[C@H]1OC(=O)C[C@H]1OC1CCCCC1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-9-12-15-16(13-17(18)20-15)19-14-10-7-6-8-11-14/h14-16H,2-13H2,1H3/t15-,16-/m1/s1
InChIKeyWPWLEHZWKOAADP-HZPDHXFCSA-N
MW282.42 g/mol
LogP4.38
Rot. Bonds8

About (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one

(4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one (PubChem CID 16655057) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one
PubChem CID16655057
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one
SMILESCCCCCCC[C@H]1OC(=O)C[C@H]1OC1CCCCC1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-9-12-15-16(13-17(18)20-15)19-14-10-7-6-8-11-14/h14-16H,2-13H2,1H3/t15-,16-/m1/s1
InChIKeyWPWLEHZWKOAADP-HZPDHXFCSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one?
The IUPAC name of (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one (CID 16655057) is (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one.
What is the SMILES notation for (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one?
The canonical SMILES for (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one is CCCCCCC[C@H]1OC(=O)C[C@H]1OC1CCCCC1.
What is the InChIKey of (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one?
The InChIKey is WPWLEHZWKOAADP-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-9-12-15-16(13-17(18)20-15)19-14-10-7-6-8-11-14/h14-16H,2-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one?
(4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one has a molecular weight of 282.42 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-cyclohexyloxy-5-heptyloxolan-2-one is sourced from PubChem (CID 16655057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).