(4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene

C11H20O — CID 11829845

IUPAC(4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene
SMILESCOC(C)(C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C11H20O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5,10H,6-8H2,1-4H3/t10-/m0/s1
InChIKeyYWJHQHJWHJRTAB-JTQLQIEISA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene

(4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene (PubChem CID 11829845) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene.

Molecular Properties

Compound Name(4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene
PubChem CID11829845
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene
SMILESCOC(C)(C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C11H20O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5,10H,6-8H2,1-4H3/t10-/m0/s1
InChIKeyYWJHQHJWHJRTAB-JTQLQIEISA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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 (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
The IUPAC name of (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene (CID 11829845) is (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene.
What is the SMILES notation for (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
The canonical SMILES for (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene is COC(C)(C)[C@H]1CC=C(C)CC1.
What is the InChIKey of (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
The InChIKey is YWJHQHJWHJRTAB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5,10H,6-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene?
(4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene is sourced from PubChem (CID 11829845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).