(3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine

C16H26O2 — CID 11276765

IUPAC(3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine
SMILESC1=C[C@H](C2CCCCC2)OO[C@@H]1C1CCCCC1
InChIInChI=1S/C16H26O2/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14/h11-16H,1-10H2/t15-,16+
InChIKeyFHZKJEALBYTFSV-IYBDPMFKSA-N
MW250.38 g/mol
LogP4.40
Rot. Bonds2

About (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine

(3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine (PubChem CID 11276765) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine.

Molecular Properties

Compound Name(3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine
PubChem CID11276765
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine
SMILESC1=C[C@H](C2CCCCC2)OO[C@@H]1C1CCCCC1
InChIInChI=1S/C16H26O2/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14/h11-16H,1-10H2/t15-,16+
InChIKeyFHZKJEALBYTFSV-IYBDPMFKSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine?
The IUPAC name of (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine (CID 11276765) is (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine.
What is the SMILES notation for (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine?
The canonical SMILES for (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine is C1=C[C@H](C2CCCCC2)OO[C@@H]1C1CCCCC1.
What is the InChIKey of (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine?
The InChIKey is FHZKJEALBYTFSV-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14/h11-16H,1-10H2/t15-,16+.
What are the key properties of (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine?
(3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine has a molecular weight of 250.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3,6-dicyclohexyl-3,6-dihydro-1,2-dioxine is sourced from PubChem (CID 11276765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).