(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol

C11H18O — CID 101412393

IUPAC(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol
SMILESC[C@]12CC=CC[C@H]1CCC[C@H]2O
InChIInChI=1S/C11H18O/c1-11-8-3-2-5-9(11)6-4-7-10(11)12/h2-3,9-10,12H,4-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyYTPQSXGZFJMULR-AXFHLTTASA-N
MW166.26 g/mol
LogP2.50
Rot. Bonds

About (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol

(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol (PubChem CID 101412393) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol
PubChem CID101412393
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol
SMILESC[C@]12CC=CC[C@H]1CCC[C@H]2O
InChIInChI=1S/C11H18O/c1-11-8-3-2-5-9(11)6-4-7-10(11)12/h2-3,9-10,12H,4-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyYTPQSXGZFJMULR-AXFHLTTASA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl] acetate
CID 101412395
1-methylbicyclo[4.1.0]heptan-2-ol
CID 130123042
(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol
CID 165343121
(8S,9S,10S,13R,14S,16R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 54260042
(5S,8S,9R,10S,13R,14R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 125028116
(16R)-16-hydroxy-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 59742804
(5S,10S,13R)-10,13,17-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 54300933
(1R)-1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 166517186
1-cyclopent-3-en-1-ylcyclopent-3-en-1-ol
CID 72735362
(2S)-2-[(5S,8R,9S,10S,13S,14S,16S,17R)-16-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
CID 46872783
2-cyclobutyl-2-methylpiperidin-3-ol
CID 115013634
4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene
CID 565023

Frequently Asked Questions

What is the IUPAC name of (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol?
The IUPAC name of (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol (CID 101412393) is (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol.
What is the SMILES notation for (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol?
The canonical SMILES for (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol is C[C@]12CC=CC[C@H]1CCC[C@H]2O.
What is the InChIKey of (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol?
The InChIKey is YTPQSXGZFJMULR-AXFHLTTASA-N. The full InChI is InChI=1S/C11H18O/c1-11-8-3-2-5-9(11)6-4-7-10(11)12/h2-3,9-10,12H,4-8H2,1H3/t9-,10+,11-/m0/s1.
What are the key properties of (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol?
(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol is sourced from PubChem (CID 101412393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).