(2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C20H28O3 — CID 15444666

IUPAC(2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1)O[C@H](C1CCCCC1)[C@@H](C1CCCCC1)O2
InChIInChI=1S/C20H28O3/c21-17-11-13-20(14-12-17)22-18(15-7-3-1-4-8-15)19(23-20)16-9-5-2-6-10-16/h11-16,18-19H,1-10H2/t18-,19-/m1/s1
InChIKeyPWUTXJRDHDIHMJ-RTBURBONSA-N
MW316.44 g/mol
LogP4.32
Rot. Bonds2

About (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

(2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 15444666) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID15444666
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name(2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1)O[C@H](C1CCCCC1)[C@@H](C1CCCCC1)O2
InChIInChI=1S/C20H28O3/c21-17-11-13-20(14-12-17)22-18(15-7-3-1-4-8-15)19(23-20)16-9-5-2-6-10-16/h11-16,18-19H,1-10H2/t18-,19-/m1/s1
InChIKeyPWUTXJRDHDIHMJ-RTBURBONSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 15444666) is (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is O=C1C=CC2(C=C1)O[C@H](C1CCCCC1)[C@@H](C1CCCCC1)O2.
What is the InChIKey of (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is PWUTXJRDHDIHMJ-RTBURBONSA-N. The full InChI is InChI=1S/C20H28O3/c21-17-11-13-20(14-12-17)22-18(15-7-3-1-4-8-15)19(23-20)16-9-5-2-6-10-16/h11-16,18-19H,1-10H2/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
(2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 316.44 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dicyclohexyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 15444666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).