4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

C12H18O — CID 26067

IUPAC4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC12C=CC(O)=CC1(C)CCCC2
InChIInChI=1S/C12H18O/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyQRCWUTMLOGAGJQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.58
Rot. Bonds

About 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 26067) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID26067
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC12C=CC(O)=CC1(C)CCCC2
InChIInChI=1S/C12H18O/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyQRCWUTMLOGAGJQ-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 26067) is 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol is CC12C=CC(O)=CC1(C)CCCC2.
What is the InChIKey of 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is QRCWUTMLOGAGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h5,8-9,13H,3-4,6-7H2,1-2H3.
What are the key properties of 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol?
4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 178.28 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 26067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).