(2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran

C15H26O — CID 10955173

IUPAC(2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
SMILESC[C@H]1CC2=C(CCCCCCCC2)O[C@@H]1C
InChIInChI=1S/C15H26O/c1-12-11-14-9-7-5-3-4-6-8-10-15(14)16-13(12)2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyITHCOBLCCUSGEG-QWHCGFSZSA-N
MW222.37 g/mol
LogP4.82
Rot. Bonds

About (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran

(2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran (PubChem CID 10955173) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
PubChem CID10955173
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
SMILESC[C@H]1CC2=C(CCCCCCCC2)O[C@@H]1C
InChIInChI=1S/C15H26O/c1-12-11-14-9-7-5-3-4-6-8-10-15(14)16-13(12)2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyITHCOBLCCUSGEG-QWHCGFSZSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
The IUPAC name of (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran (CID 10955173) is (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
The canonical SMILES for (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran is C[C@H]1CC2=C(CCCCCCCC2)O[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
The InChIKey is ITHCOBLCCUSGEG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26O/c1-12-11-14-9-7-5-3-4-6-8-10-15(14)16-13(12)2/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
(2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran has a molecular weight of 222.37 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran is sourced from PubChem (CID 10955173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).