(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane

C22H26O2 — CID 102454041

IUPAC(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
SMILESc1ccc(C2(c3ccccc3)CCCC[C@@]3(CCCCO3)O2)cc1
InChIInChI=1S/C22H26O2/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)17-8-7-15-21(24-22)16-9-10-18-23-21/h1-6,11-14H,7-10,15-18H2/t21-/m0/s1
InChIKeyOPWYNLATZRXKLM-NRFANRHFSA-N
MW322.45 g/mol
LogP5.42
Rot. Bonds2

About (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane

(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane (PubChem CID 102454041) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
PubChem CID102454041
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
SMILESc1ccc(C2(c3ccccc3)CCCC[C@@]3(CCCCO3)O2)cc1
InChIInChI=1S/C22H26O2/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)17-8-7-15-21(24-22)16-9-10-18-23-21/h1-6,11-14H,7-10,15-18H2/t21-/m0/s1
InChIKeyOPWYNLATZRXKLM-NRFANRHFSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenyloxan-2-yl)silane
CID 123975784
dimethoxy-(2-phenyloxan-2-yl)silane
CID 174844797
1,4-dioxaspiro[4.5]decane;phenylmethanamine
CID 143618966
1-phenylcyclohexane-1-thiol
CID 19348891
2-(2-chlorophenyl)-2-phenyloxolane
CID 23016058
spiro[3,4-dihydrochromene-2,2'-oxane]
CID 25016653
3-phenyl-1,2,5-trioxaspiro[5.11]heptadecane-3-carbaldehyde
CID 46210800
triethoxy-(2-phenyloxan-2-yl)silane
CID 175435883
1,1-diphenylcyclotetradecane
CID 175822005
(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
CID 15361394
3,3-dichloro-2-phenyloxan-2-ol
CID 166443974
3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol
CID 67848776

Frequently Asked Questions

What is the IUPAC name of (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane?
The IUPAC name of (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane (CID 102454041) is (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane?
The canonical SMILES for (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane is c1ccc(C2(c3ccccc3)CCCC[C@@]3(CCCCO3)O2)cc1.
What is the InChIKey of (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane?
The InChIKey is OPWYNLATZRXKLM-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)17-8-7-15-21(24-22)16-9-10-18-23-21/h1-6,11-14H,7-10,15-18H2/t21-/m0/s1.
What are the key properties of (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane?
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane has a molecular weight of 322.45 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane is sourced from PubChem (CID 102454041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).