(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane

C19H28O2 — CID 58916984

IUPAC(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
SMILESCC[C@@H]1CC2(C[C@H](CC)C1Cc1ccccc1)OCCO2
InChIInChI=1S/C19H28O2/c1-3-16-13-19(20-10-11-21-19)14-17(4-2)18(16)12-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3/t16-,17+,18?
InChIKeyHZALJFQJVODNBZ-JWTNVVGKSA-N
MW288.43 g/mol
LogP4.43
Rot. Bonds4

About (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane

(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane (PubChem CID 58916984) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
PubChem CID58916984
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
SMILESCC[C@@H]1CC2(C[C@H](CC)C1Cc1ccccc1)OCCO2
InChIInChI=1S/C19H28O2/c1-3-16-13-19(20-10-11-21-19)14-17(4-2)18(16)12-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3/t16-,17+,18?
InChIKeyHZALJFQJVODNBZ-JWTNVVGKSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane (CID 58916984) is (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane is CC[C@@H]1CC2(C[C@H](CC)C1Cc1ccccc1)OCCO2.
What is the InChIKey of (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is HZALJFQJVODNBZ-JWTNVVGKSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-16-13-19(20-10-11-21-19)14-17(4-2)18(16)12-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3/t16-,17+,18?.
What are the key properties of (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane?
(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 288.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58916984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).