(2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran

C13H22O2 — CID 134995618

IUPAC(2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
SMILESCOC[C@H]1C=CC[C@@H](C2CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-14-10-12-8-5-9-13(15-12)11-6-3-2-4-7-11/h5,8,11-13H,2-4,6-7,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyXJDUSKHGFRSAKA-OLZOCXBDSA-N
MW210.32 g/mol
LogP2.93
Rot. Bonds3

About (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran

(2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 134995618) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
PubChem CID134995618
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
SMILESCOC[C@H]1C=CC[C@@H](C2CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-14-10-12-8-5-9-13(15-12)11-6-3-2-4-7-11/h5,8,11-13H,2-4,6-7,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyXJDUSKHGFRSAKA-OLZOCXBDSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-cyclohexyl-3,6-dihydro-2H-pyran
CID 11183262
(2S,6R)-4-chloro-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
CID 44431632
2-cyclohexyl-3,6-dihydro-2H-pyran
CID 11126643
2H-Pyran, 2-cyclohexyl-5,6-dihydro-
CID 11829812
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
(2R)-2-cyclohexyl-2,5-dihydrofuran
CID 118013458
(3S,6S,8S)-6-(cyclohexen-1-ylmethyl)-8-methyl-1,7-dioxaspiro[2.5]oct-4-ene
CID 44356246
(3S,6R,8S)-8-methyl-6-(2-methylcyclohex-2-en-1-yl)-1,7-dioxaspiro[2.5]oct-4-ene
CID 44356264
(3R,6S,8S)-6-(cyclohexen-1-ylmethyl)-8-methyl-1,7-dioxaspiro[2.5]oct-4-ene
CID 44356286
(3R,6R,8S)-8-methyl-6-(2-methylcyclohex-2-en-1-yl)-1,7-dioxaspiro[2.5]oct-4-ene
CID 44356356
6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran
CID 166933991
methyl (2R,6S)-2-cyclohexyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10561107

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran (CID 134995618) is (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran is COC[C@H]1C=CC[C@@H](C2CCCCC2)O1.
What is the InChIKey of (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is XJDUSKHGFRSAKA-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H22O2/c1-14-10-12-8-5-9-13(15-12)11-6-3-2-4-7-11/h5,8,11-13H,2-4,6-7,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
(2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 210.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-cyclohexyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134995618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).