7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

C20H36O — CID 58552768

IUPAC7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCC1CCC(C2CC3CC(O)CC(C)C3CC2C)CC1C
InChIInChI=1S/C20H36O/c1-12-5-6-16(7-13(12)2)20-11-17-10-18(21)8-14(3)19(17)9-15(20)4/h12-21H,5-11H2,1-4H3
InChIKeyIVQVVWYGQWTCBP-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.13
Rot. Bonds1

About 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (PubChem CID 58552768) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
PubChem CID58552768
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCC1CCC(C2CC3CC(O)CC(C)C3CC2C)CC1C
InChIInChI=1S/C20H36O/c1-12-5-6-16(7-13(12)2)20-11-17-10-18(21)8-14(3)19(17)9-15(20)4/h12-21H,5-11H2,1-4H3
InChIKeyIVQVVWYGQWTCBP-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The IUPAC name of 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CID 58552768) is 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.
What is the SMILES notation for 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The canonical SMILES for 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is CC1CCC(C2CC3CC(O)CC(C)C3CC2C)CC1C.
What is the InChIKey of 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The InChIKey is IVQVVWYGQWTCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-12-5-6-16(7-13(12)2)20-11-17-10-18(21)8-14(3)19(17)9-15(20)4/h12-21H,5-11H2,1-4H3.
What are the key properties of 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol has a molecular weight of 292.51 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is sourced from PubChem (CID 58552768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).