5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol

C13H19O+ — CID 134837402

IUPAC5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol
SMILES[CH2+]C12CC=C(O)C=C1CCC(C)C2C
InChIInChI=1S/C13H18O/c1-9-4-5-11-8-12(14)6-7-13(11,3)10(9)2/h6,8-10H,3-5,7H2,1-2H3/p+1
InChIKeyDPZBWDNIMLRSTL-UHFFFAOYSA-O
MW191.29 g/mol
LogP3.64
Rot. Bonds

About 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol

5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol (PubChem CID 134837402) has the molecular formula C13H19O+ and a molecular weight of 191.29 g/mol. Its IUPAC name is 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol.

Molecular Properties

Compound Name5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol
PubChem CID134837402
Molecular FormulaC13H19O+
Molecular Weight191.29 g/mol
Exact Mass191.14
IUPAC Name5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol
SMILES[CH2+]C12CC=C(O)C=C1CCC(C)C2C
InChIInChI=1S/C13H18O/c1-9-4-5-11-8-12(14)6-7-13(11,3)10(9)2/h6,8-10H,3-5,7H2,1-2H3/p+1
InChIKeyDPZBWDNIMLRSTL-UHFFFAOYSA-O
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fuscol
CID 10891538
gyrosanol B
CID 46906458
(3E,5E)-6-[(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-methylhepta-3,5-dien-2-ol
CID 14828730
2-[(4aR,8R)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol
CID 21587068
(3E,5E)-6-[(2S,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-2-methylhepta-3,5-dien-2-ol
CID 21669845
6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-methylhexa-3,5-dien-2-ol
CID 162956867
(3E,5E)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-methylhexa-3,5-dien-2-ol
CID 53484200
2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol
CID 102058048
3,8-Dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol
CID 163186211
(3E,5E)-6-[(2R,4aS,8aR)-4a-methyl-8-methylene-decalin-2-yl]-2-methyl-hepta-3,5-dien-2-ol
CID 176468528
(3E,5E)-6-[(2S,4aS,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]-2-methylhepta-3,5-dien-2-ol
CID 154708795
1,3,5-Estratrien-3-ol
CID 44255920

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol?
The IUPAC name of 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol (CID 134837402) is 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol.
What is the SMILES notation for 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol?
The canonical SMILES for 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol is [CH2+]C12CC=C(O)C=C1CCC(C)C2C.
What is the InChIKey of 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol?
The InChIKey is DPZBWDNIMLRSTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18O/c1-9-4-5-11-8-12(14)6-7-13(11,3)10(9)2/h6,8-10H,3-5,7H2,1-2H3/p+1.
What are the key properties of 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol?
5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol has a molecular weight of 191.29 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol is sourced from PubChem (CID 134837402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).