(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol

C13H22O — CID 165343121

IUPAC(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol
SMILESCC1(C)C=CC[C@@]2(C)[C@H](O)CCC[C@H]12
InChIInChI=1S/C13H22O/c1-12(2)8-5-9-13(3)10(12)6-4-7-11(13)14/h5,8,10-11,14H,4,6-7,9H2,1-3H3/t10-,11-,13-/m1/s1
InChIKeyMLVZWAMATWAZED-NQBHXWOUSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds

About (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol

(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol (PubChem CID 165343121) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol
PubChem CID165343121
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol
SMILESCC1(C)C=CC[C@@]2(C)[C@H](O)CCC[C@H]12
InChIInChI=1S/C13H22O/c1-12(2)8-5-9-13(3)10(12)6-4-7-11(13)14/h5,8,10-11,14H,4,6-7,9H2,1-3H3/t10-,11-,13-/m1/s1
InChIKeyMLVZWAMATWAZED-NQBHXWOUSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol?
The IUPAC name of (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol (CID 165343121) is (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol.
What is the SMILES notation for (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol?
The canonical SMILES for (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol is CC1(C)C=CC[C@@]2(C)[C@H](O)CCC[C@H]12.
What is the InChIKey of (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol?
The InChIKey is MLVZWAMATWAZED-NQBHXWOUSA-N. The full InChI is InChI=1S/C13H22O/c1-12(2)8-5-9-13(3)10(12)6-4-7-11(13)14/h5,8,10-11,14H,4,6-7,9H2,1-3H3/t10-,11-,13-/m1/s1.
What are the key properties of (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol?
(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol is sourced from PubChem (CID 165343121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).