(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene

C11H18O2 — CID 125476026

IUPAC(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene
SMILESC=CC1=CCC[C@@H](C)[C@@H]1OCOC
InChIInChI=1S/C11H18O2/c1-4-10-7-5-6-9(2)11(10)13-8-12-3/h4,7,9,11H,1,5-6,8H2,2-3H3/t9-,11+/m1/s1
InChIKeyCEOPPWMNTGMOGK-KOLCDFICSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds4

About (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene

(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene (PubChem CID 125476026) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene.

Molecular Properties

Compound Name(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene
PubChem CID125476026
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene
SMILESC=CC1=CCC[C@@H](C)[C@@H]1OCOC
InChIInChI=1S/C11H18O2/c1-4-10-7-5-6-9(2)11(10)13-8-12-3/h4,7,9,11H,1,5-6,8H2,2-3H3/t9-,11+/m1/s1
InChIKeyCEOPPWMNTGMOGK-KOLCDFICSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6R)-1-ethenyl-6-(methoxymethoxy)cyclohexene
CID 100956688
1-ethenyl-5-(methoxymethoxy)cyclohexene
CID 101021221
(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene
CID 100956681
(4S,5R)-4,5-bis(methoxymethoxy)-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
CID 134895890
3-(methoxymethoxy)-4-methylazetidin-2-one
CID 131993362
ethane;1-[(1Z,3E)-3-methoxypenta-1,3-dienyl]-5,6-dimethylcyclohexene
CID 143044684
1-methoxy-5,6-dimethylcyclohexene
CID 129151578
1-ethenyl-5-methylcyclohexene
CID 13382650
2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal
CID 10464632
1-ethenyl-5-(5-methylhex-4-enyl)cyclopentene
CID 11636969
cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
CID 124635148
cis-(2S,4S)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
CID 124635151

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene?
The IUPAC name of (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene (CID 125476026) is (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene.
What is the SMILES notation for (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene?
The canonical SMILES for (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene is C=CC1=CCC[C@@H](C)[C@@H]1OCOC.
What is the InChIKey of (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene?
The InChIKey is CEOPPWMNTGMOGK-KOLCDFICSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-10-7-5-6-9(2)11(10)13-8-12-3/h4,7,9,11H,1,5-6,8H2,2-3H3/t9-,11+/m1/s1.
What are the key properties of (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene?
(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene has a molecular weight of 182.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene is sourced from PubChem (CID 125476026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).