2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol

C15H24O — CID 102058048

IUPAC2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol
SMILESC[C@H]1CCC[C@@]2(C)CC=C(C(C)(C)O)C=C12
InChIInChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h7,10-11,16H,5-6,8-9H2,1-4H3/t11-,15-/m0/s1
InChIKeySCFWEZZRBBRNAV-NHYWBVRUSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol

2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol (PubChem CID 102058048) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol
PubChem CID102058048
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol
SMILESC[C@H]1CCC[C@@]2(C)CC=C(C(C)(C)O)C=C12
InChIInChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h7,10-11,16H,5-6,8-9H2,1-4H3/t11-,15-/m0/s1
InChIKeySCFWEZZRBBRNAV-NHYWBVRUSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol with MolForge

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Related Compounds

(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
CID 20837747
(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 6428338
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 15768058
1-[(2S,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]ethanone
CID 91749515
(5S,8aR)-1-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-isochromen-3-one
CID 14021015
1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
CID 142654820
(2S,4aS,8S)-4a,8-dimethyl-2-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile
CID 163109819
(3S,3aS,5R,8aS,9aR)-3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 163029809
2-(4-tert-butylphenyl)-2,6-dimethylcyclohexan-1-one
CID 22558549
2-[(4aR,8S,8aR)-4a,8-dimethyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]propan-2-ol
CID 162849807
2-[(1R,3aS,5E,9E,12Z)-3a,6,10-trimethyl-2-methylidene-1,3,4,7,8,11-hexahydrocyclopenta[11]annulen-1-yl]propan-2-ol
CID 171120918
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 11872718

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol?
The IUPAC name of 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol (CID 102058048) is 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol?
The canonical SMILES for 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol is C[C@H]1CCC[C@@]2(C)CC=C(C(C)(C)O)C=C12.
What is the InChIKey of 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol?
The InChIKey is SCFWEZZRBBRNAV-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h7,10-11,16H,5-6,8-9H2,1-4H3/t11-,15-/m0/s1.
What are the key properties of 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol?
2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol is sourced from PubChem (CID 102058048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).