(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane

C13H22O — CID 102186272

IUPAC(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane
SMILESC=C1C[C@@H](C2CCCCC2)O[C@@H](C)C1
InChIInChI=1S/C13H22O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h11-13H,1,3-9H2,2H3/t11-,13-/m0/s1
InChIKeyGDKDCSSMASRANP-AAEUAGOBSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds1

About (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane

(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane (PubChem CID 102186272) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane.

Molecular Properties

Compound Name(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane
PubChem CID102186272
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane
SMILESC=C1C[C@@H](C2CCCCC2)O[C@@H](C)C1
InChIInChI=1S/C13H22O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h11-13H,1,3-9H2,2H3/t11-,13-/m0/s1
InChIKeyGDKDCSSMASRANP-AAEUAGOBSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
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-cyclohexyl-6-methyl-4-methylideneoxane?
The IUPAC name of (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane (CID 102186272) is (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane.
What is the SMILES notation for (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane?
The canonical SMILES for (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane is C=C1C[C@@H](C2CCCCC2)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane?
The InChIKey is GDKDCSSMASRANP-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H22O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h11-13H,1,3-9H2,2H3/t11-,13-/m0/s1.
What are the key properties of (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane?
(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane is sourced from PubChem (CID 102186272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).