(4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol

C11H16O — CID 12882531

IUPAC(4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol
SMILESCC1=CCC(O)[C@H]2CCC=C[C@@H]12
InChIInChI=1S/C11H16O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2,4,6,9-12H,3,5,7H2,1H3/t9-,10-,11?/m0/s1
InChIKeyGEHYGGMRRZXVJH-QRHSGQBVSA-N
MW164.25 g/mol
LogP2.28
Rot. Bonds

About (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol

(4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol (PubChem CID 12882531) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol
PubChem CID12882531
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol
SMILESCC1=CCC(O)[C@H]2CCC=C[C@@H]12
InChIInChI=1S/C11H16O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2,4,6,9-12H,3,5,7H2,1H3/t9-,10-,11?/m0/s1
InChIKeyGEHYGGMRRZXVJH-QRHSGQBVSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.28
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 (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol?
The IUPAC name of (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol (CID 12882531) is (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol.
What is the SMILES notation for (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol?
The canonical SMILES for (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol is CC1=CCC(O)[C@H]2CCC=C[C@@H]12.
What is the InChIKey of (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol?
The InChIKey is GEHYGGMRRZXVJH-QRHSGQBVSA-N. The full InChI is InChI=1S/C11H16O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2,4,6,9-12H,3,5,7H2,1H3/t9-,10-,11?/m0/s1.
What are the key properties of (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol?
(4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol has a molecular weight of 164.25 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-4-methyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-ol is sourced from PubChem (CID 12882531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).