(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

C11H18O — CID 130741530

IUPAC(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESC[C@]12CCCCC1=CC(O)CC2
InChIInChI=1S/C11H18O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h8,10,12H,2-7H2,1H3/t10?,11-/m1/s1
InChIKeyZRALQUNYQUFRDO-RRKGBCIJSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (PubChem CID 130741530) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
PubChem CID130741530
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESC[C@]12CCCCC1=CC(O)CC2
InChIInChI=1S/C11H18O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h8,10,12H,2-7H2,1H3/t10?,11-/m1/s1
InChIKeyZRALQUNYQUFRDO-RRKGBCIJSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 73120799
(2S,4aS)-4a,8,8-trimethyl-2,3,4,5,6,7-hexahydronaphthalen-2-ol
CID 11458235
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 15768058
4,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130149133
(2S)-4,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 176717147
(7-hydroxy-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-yl)methyl acetate
CID 561029
(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 7000123
(5S,7aS)-7a-prop-2-ynyl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 101254941
(3R,10R,13S)-10,13-dimethyl-17-methylidene-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 59916980
(1R,2R,8aR)-8a-methyl-1-propan-2-yl-2,4,5,6,7,8-hexahydro-1H-azulen-2-ol
CID 101243398
(3S,8R,9R,10R,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 7107315
4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 134192898

Frequently Asked Questions

What is the IUPAC name of (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The IUPAC name of (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (CID 130741530) is (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.
What is the SMILES notation for (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The canonical SMILES for (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is C[C@]12CCCCC1=CC(O)CC2.
What is the InChIKey of (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The InChIKey is ZRALQUNYQUFRDO-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H18O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h8,10,12H,2-7H2,1H3/t10?,11-/m1/s1.
What are the key properties of (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is sourced from PubChem (CID 130741530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).