(2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran

C17H28O — CID 101049053

IUPAC(2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran
SMILESC1=C[C@H](C2CCCCC2)O[C@H](C2CCCCC2)C1
InChIInChI=1S/C17H28O/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h7,12,14-17H,1-6,8-11,13H2/t16-,17+/m1/s1
InChIKeyLCZBIZNIYDLFFJ-SJORKVTESA-N
MW248.41 g/mol
LogP4.86
Rot. Bonds2

About (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran

(2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran (PubChem CID 101049053) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran
PubChem CID101049053
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran
SMILESC1=C[C@H](C2CCCCC2)O[C@H](C2CCCCC2)C1
InChIInChI=1S/C17H28O/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h7,12,14-17H,1-6,8-11,13H2/t16-,17+/m1/s1
InChIKeyLCZBIZNIYDLFFJ-SJORKVTESA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran (CID 101049053) is (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran is C1=C[C@H](C2CCCCC2)O[C@H](C2CCCCC2)C1.
What is the InChIKey of (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran?
The InChIKey is LCZBIZNIYDLFFJ-SJORKVTESA-N. The full InChI is InChI=1S/C17H28O/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h7,12,14-17H,1-6,8-11,13H2/t16-,17+/m1/s1.
What are the key properties of (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran?
(2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran has a molecular weight of 248.41 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dicyclohexyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 101049053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).