(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

C10H16O — CID 7166675

IUPAC(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
SMILESO=C1CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9-/m0/s1
InChIKeyLGVJRKCQQHOWAU-IUCAKERBSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds

About (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one (PubChem CID 7166675) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
PubChem CID7166675
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
SMILESO=C1CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9-/m0/s1
InChIKeyLGVJRKCQQHOWAU-IUCAKERBSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
The IUPAC name of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one (CID 7166675) is (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one.
What is the SMILES notation for (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
The canonical SMILES for (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one is O=C1CC[C@@H]2CCCC[C@H]2C1.
What is the InChIKey of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
The InChIKey is LGVJRKCQQHOWAU-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9-/m0/s1.
What are the key properties of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one is sourced from PubChem (CID 7166675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).