(7R)-7-methoxy-2,6,6-trimethyloct-2-ene

C12H24O — CID 89306697

IUPAC(7R)-7-methoxy-2,6,6-trimethyloct-2-ene
SMILESCO[C@H](C)C(C)(C)CCC=C(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-7-9-12(4,5)11(3)13-6/h8,11H,7,9H2,1-6H3/t11-/m1/s1
InChIKeyKPSRGRWJWHCTCD-LLVKDONJSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds5

About (7R)-7-methoxy-2,6,6-trimethyloct-2-ene

(7R)-7-methoxy-2,6,6-trimethyloct-2-ene (PubChem CID 89306697) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (7R)-7-methoxy-2,6,6-trimethyloct-2-ene.

Molecular Properties

Compound Name(7R)-7-methoxy-2,6,6-trimethyloct-2-ene
PubChem CID89306697
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(7R)-7-methoxy-2,6,6-trimethyloct-2-ene
SMILESCO[C@H](C)C(C)(C)CCC=C(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-7-9-12(4,5)11(3)13-6/h8,11H,7,9H2,1-6H3/t11-/m1/s1
InChIKeyKPSRGRWJWHCTCD-LLVKDONJSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.79
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

2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
1,5-Cyclododecadiene, 9-methoxy-2,5,10-trimethyl-
CID 102054966
3,7,10,10-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 78385038
(1R,3E,7E,11R)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 15647025
1,5,5,7-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 162903457
(1R,3E,7E,11R)-1,5,5,7-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 162903458
(1R,3E,7E,11S)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 163097289
1-Methoxy-6,6-dimethyl-cyclohex-2-ene
CID 558570
3-Methoxy-1,5,5-trimethylcyclohexene
CID 12233157
3-Methoxy-1,5,5-trimethylcyclopentene
CID 86130304
(3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CID 101324901
(4R,5S)-3-((2R,3S,4S,E)-2,6-diethyl-9-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)-3-hydroxy-4-methylnon-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one
CID 172408427

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methoxy-2,6,6-trimethyloct-2-ene?
The IUPAC name of (7R)-7-methoxy-2,6,6-trimethyloct-2-ene (CID 89306697) is (7R)-7-methoxy-2,6,6-trimethyloct-2-ene.
What is the SMILES notation for (7R)-7-methoxy-2,6,6-trimethyloct-2-ene?
The canonical SMILES for (7R)-7-methoxy-2,6,6-trimethyloct-2-ene is CO[C@H](C)C(C)(C)CCC=C(C)C.
What is the InChIKey of (7R)-7-methoxy-2,6,6-trimethyloct-2-ene?
The InChIKey is KPSRGRWJWHCTCD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)8-7-9-12(4,5)11(3)13-6/h8,11H,7,9H2,1-6H3/t11-/m1/s1.
What are the key properties of (7R)-7-methoxy-2,6,6-trimethyloct-2-ene?
(7R)-7-methoxy-2,6,6-trimethyloct-2-ene has a molecular weight of 184.32 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methoxy-2,6,6-trimethyloct-2-ene is sourced from PubChem (CID 89306697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).