(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene

C11H18 — CID 100929671

IUPAC(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESC[C@@H]1CCCC2CCCC=C21
InChIInChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h8-10H,2-7H2,1H3/t9-,10?/m1/s1
InChIKeyRWVLUKBXMQLXQF-YHMJZVADSA-N
MW150.26 g/mol
LogP3.53
Rot. Bonds

About (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene

(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (PubChem CID 100929671) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
PubChem CID100929671
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESC[C@@H]1CCCC2CCCC=C21
InChIInChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h8-10H,2-7H2,1H3/t9-,10?/m1/s1
InChIKeyRWVLUKBXMQLXQF-YHMJZVADSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The IUPAC name of (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (CID 100929671) is (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene.
What is the SMILES notation for (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The canonical SMILES for (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene is C[C@@H]1CCCC2CCCC=C21.
What is the InChIKey of (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The InChIKey is RWVLUKBXMQLXQF-YHMJZVADSA-N. The full InChI is InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h8-10H,2-7H2,1H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene has a molecular weight of 150.26 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene is sourced from PubChem (CID 100929671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).