(4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

C15H24O — CID 11031401

IUPAC(4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCC(C)[C@@H]1CC[C@]2(C)CC(=O)C=C[C@]2(C)C1
InChIInChI=1S/C15H24O/c1-11(2)12-5-7-15(4)10-13(16)6-8-14(15,3)9-12/h6,8,11-12H,5,7,9-10H2,1-4H3/t12-,14-,15-/m1/s1
InChIKeyPIGAETUEUXKOSG-BPLDGKMQSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

About (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

(4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one (PubChem CID 11031401) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
PubChem CID11031401
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCC(C)[C@@H]1CC[C@]2(C)CC(=O)C=C[C@]2(C)C1
InChIInChI=1S/C15H24O/c1-11(2)12-5-7-15(4)10-13(16)6-8-14(15,3)9-12/h6,8,11-12H,5,7,9-10H2,1-4H3/t12-,14-,15-/m1/s1
InChIKeyPIGAETUEUXKOSG-BPLDGKMQSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 565274
(4aS,5S,8aR)-4a-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 71665668
(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 177290980
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine
CID 139339152
1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one
CID 66107206
1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
CID 107450626
1-ethenyl-8-propan-2-ylspiro[4.4]nonan-4-one
CID 78119246
(4aS,6S,8aR)-4a-hydroxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxoheptan-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 102135968
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane
CID 170754482

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The IUPAC name of (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one (CID 11031401) is (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one.
What is the SMILES notation for (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The canonical SMILES for (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one is CC(C)[C@@H]1CC[C@]2(C)CC(=O)C=C[C@]2(C)C1.
What is the InChIKey of (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The InChIKey is PIGAETUEUXKOSG-BPLDGKMQSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)12-5-7-15(4)10-13(16)6-8-14(15,3)9-12/h6,8,11-12H,5,7,9-10H2,1-4H3/t12-,14-,15-/m1/s1.
What are the key properties of (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
(4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one is sourced from PubChem (CID 11031401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).