4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol

C12H22O2 — CID 162816105

IUPAC4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
SMILESCC1CCC(O)C2(C)CCCCC12O
InChIInChI=1S/C12H22O2/c1-9-5-6-10(13)11(2)7-3-4-8-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyWSPUQWIFSUZMQU-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.09
Rot. Bonds

About 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol

4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol (PubChem CID 162816105) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol.

Molecular Properties

Compound Name4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
PubChem CID162816105
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
SMILESCC1CCC(O)C2(C)CCCCC12O
InChIInChI=1S/C12H22O2/c1-9-5-6-10(13)11(2)7-3-4-8-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyWSPUQWIFSUZMQU-UHFFFAOYSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4R,4aR,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162963435
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
CID 130369263
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol
CID 163112005
5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 5136602
(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol
CID 11745263
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
CID 175971620
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
2,2-dimethylcyclohexan-1-ol
CID 557637
5,5-dimethylcyclononan-1-ol
CID 130122952

Frequently Asked Questions

What is the IUPAC name of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol?
The IUPAC name of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol (CID 162816105) is 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol.
What is the SMILES notation for 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol?
The canonical SMILES for 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol is CC1CCC(O)C2(C)CCCCC12O.
What is the InChIKey of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol?
The InChIKey is WSPUQWIFSUZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-5-6-10(13)11(2)7-3-4-8-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol?
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol has a molecular weight of 198.31 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol is sourced from PubChem (CID 162816105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).