(4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol

C13H18O — CID 162403366

IUPAC(4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol
SMILESOC1[C@H]2C=CCC[C@H]2[C@H]2CCC=C[C@@H]12
InChIInChI=1S/C13H18O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h3-4,7-14H,1-2,5-6H2/t9-,10+,11-,12+,13?
InChIKeyRZXOWLJLBNADKV-HTYKTIJTSA-N
MW190.29 g/mol
LogP2.53
Rot. Bonds

About (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol

(4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol (PubChem CID 162403366) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol.

Molecular Properties

Compound Name(4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol
PubChem CID162403366
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol
SMILESOC1[C@H]2C=CCC[C@H]2[C@H]2CCC=C[C@@H]12
InChIInChI=1S/C13H18O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h3-4,7-14H,1-2,5-6H2/t9-,10+,11-,12+,13?
InChIKeyRZXOWLJLBNADKV-HTYKTIJTSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.53
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 (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol?
The IUPAC name of (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol (CID 162403366) is (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol.
What is the SMILES notation for (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol?
The canonical SMILES for (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol is OC1[C@H]2C=CCC[C@H]2[C@H]2CCC=C[C@@H]12.
What is the InChIKey of (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol?
The InChIKey is RZXOWLJLBNADKV-HTYKTIJTSA-N. The full InChI is InChI=1S/C13H18O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h3-4,7-14H,1-2,5-6H2/t9-,10+,11-,12+,13?.
What are the key properties of (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol?
(4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol has a molecular weight of 190.29 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bR,8aR,9aS)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluoren-9-ol is sourced from PubChem (CID 162403366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).