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

C12H20O — CID 131845051

IUPAC(2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1C=CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C12H20O/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h5-6,10-12H,2-4,7-9H2,1H3/t10-,12+/m0/s1
InChIKeyGNSOUURHHDYNBR-CMPLNLGQSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds1

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

(2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran (PubChem CID 131845051) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran
PubChem CID131845051
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1C=CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C12H20O/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h5-6,10-12H,2-4,7-9H2,1H3/t10-,12+/m0/s1
InChIKeyGNSOUURHHDYNBR-CMPLNLGQSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-cyclohexyl-3,6-dihydro-1,2-dioxine
CID 11701108
(3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
CID 16727770
(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
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
(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 3108045
1-Oxaspiro(5.5)undec-4-ene, 4-methyl-
CID 642949
4-Methyl-1-oxaspiro[5.5]undec-3-ene
CID 11116424
Lanceoloxide
CID 91749733
3-(1-Cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077592

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran (CID 131845051) is (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran is C[C@H]1C=CC[C@H](C2CCCCC2)O1.
What is the InChIKey of (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran?
The InChIKey is GNSOUURHHDYNBR-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H20O/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h5-6,10-12H,2-4,7-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran?
(2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran has a molecular weight of 180.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 131845051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).