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

C15H24O — CID 21116680

IUPAC(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
SMILESCC1(C)C2C(=O)CCC(C)(C)[C@]23CC[C@H]1C3
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-/m0/s1
InChIKeyVCOCESNMLNDPLX-BTXGZQJSSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds

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

(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one (PubChem CID 21116680) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one.

Molecular Properties

Compound Name(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
PubChem CID21116680
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
SMILESCC1(C)C2C(=O)CCC(C)(C)[C@]23CC[C@H]1C3
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-/m0/s1
InChIKeyVCOCESNMLNDPLX-BTXGZQJSSA-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

Analyze (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+-)-Fenchone
CID 14525
5alpha-Dihydroprogesterone
CID 92810
Dihydroandrostenedione
CID 222865
(-)-Fenchone
CID 82229
Androstane-3,17-dione, (5beta)-
CID 440114
(+)-Fenchone
CID 1201521
3,20-Pregnanedione
CID 92745
Coprostanone
CID 92132
1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
CID 90978
5alpha-Androstan-3,6,17-trione
CID 11522319
5alpha-Cholestan-3-one
CID 92128
Dtxcid30819920
CID 98615047

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
The IUPAC name of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one (CID 21116680) is (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one.
What is the SMILES notation for (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
The canonical SMILES for (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one is CC1(C)C2C(=O)CCC(C)(C)[C@]23CC[C@H]1C3.
What is the InChIKey of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
The InChIKey is VCOCESNMLNDPLX-BTXGZQJSSA-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-/m0/s1.
What are the key properties of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one?
(3S,6S)-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,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one is sourced from PubChem (CID 21116680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).