(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene

C14H18 — CID 173454949

IUPAC(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene
SMILESC1=CC[C@H]2CC3CCCCC3=CC2=C1
InChIInChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5,9,12,14H,3-4,6-8,10H2/t12-,14?/m0/s1
InChIKeyVTIBBOHXBURHMD-NBFOIZRFSA-N
MW186.30 g/mol
LogP4.01
Rot. Bonds

About (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene

(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene (PubChem CID 173454949) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene.

Molecular Properties

Compound Name(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene
PubChem CID173454949
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene
SMILESC1=CC[C@H]2CC3CCCCC3=CC2=C1
InChIInChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5,9,12,14H,3-4,6-8,10H2/t12-,14?/m0/s1
InChIKeyVTIBBOHXBURHMD-NBFOIZRFSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The IUPAC name of (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene (CID 173454949) is (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene.
What is the SMILES notation for (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The canonical SMILES for (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene is C1=CC[C@H]2CC3CCCCC3=CC2=C1.
What is the InChIKey of (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The InChIKey is VTIBBOHXBURHMD-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5,9,12,14H,3-4,6-8,10H2/t12-,14?/m0/s1.
What are the key properties of (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene?
(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene has a molecular weight of 186.30 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene is sourced from PubChem (CID 173454949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).