(3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one

C15H24O — CID 98615047

IUPAC(3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
SMILESCC1(C)[C@@H]2CC[C@]3(C2)[C@@H]1C(=O)CCC3(C)C
InChIInChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m1/s1
InChIKeyVCOCESNMLNDPLX-HCKVZZMMSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds

About (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one

(3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one (PubChem CID 98615047) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one.

Molecular Properties

Compound Name(3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
PubChem CID98615047
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
SMILESCC1(C)[C@@H]2CC[C@]3(C2)[C@@H]1C(=O)CCC3(C)C
InChIInChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m1/s1
InChIKeyVCOCESNMLNDPLX-HCKVZZMMSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
The IUPAC name of (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one (CID 98615047) is (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one.
What is the SMILES notation for (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
The canonical SMILES for (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one is CC1(C)[C@@H]2CC[C@]3(C2)[C@@H]1C(=O)CCC3(C)C.
What is the InChIKey of (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
The InChIKey is VCOCESNMLNDPLX-HCKVZZMMSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m1/s1.
What are the key properties of (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
(3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one has a molecular weight of 220.36 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one is sourced from PubChem (CID 98615047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).