1,2,3,4,5,10a-hexahydroanthracene

C14H16 — CID 173432226

IUPAC1,2,3,4,5,10a-hexahydroanthracene
SMILESC1=CCC2C=C3CCCCC3=CC2=C1
InChIInChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyOPLVUVRUYMKKPJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.93
Rot. Bonds

About 1,2,3,4,5,10a-hexahydroanthracene

1,2,3,4,5,10a-hexahydroanthracene (PubChem CID 173432226) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,2,3,4,5,10a-hexahydroanthracene.

Molecular Properties

Compound Name1,2,3,4,5,10a-hexahydroanthracene
PubChem CID173432226
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1,2,3,4,5,10a-hexahydroanthracene
SMILESC1=CCC2C=C3CCCCC3=CC2=C1
InChIInChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyOPLVUVRUYMKKPJ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 163854702
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7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine
CID 154277815
ethane;ethene;7-ethyl-1,8a-dihydronaphthalene
CID 142864033
3-[3-(methoxymethyl)-4a,5-dihydronaphthalen-2-yl]prop-2-ene-1-thiol
CID 123442025
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromene
CID 67608971
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene
CID 143640456
ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene
CID 143924676
CID 70274883
CID 70274883
3,4,4a,5,10,10a-hexahydroanthracene-1,2-dione
CID 56623957

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,10a-hexahydroanthracene?
The IUPAC name of 1,2,3,4,5,10a-hexahydroanthracene (CID 173432226) is 1,2,3,4,5,10a-hexahydroanthracene.
What is the SMILES notation for 1,2,3,4,5,10a-hexahydroanthracene?
The canonical SMILES for 1,2,3,4,5,10a-hexahydroanthracene is C1=CCC2C=C3CCCCC3=CC2=C1.
What is the InChIKey of 1,2,3,4,5,10a-hexahydroanthracene?
The InChIKey is OPLVUVRUYMKKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5,9-10,12H,3-4,6-8H2.
What are the key properties of 1,2,3,4,5,10a-hexahydroanthracene?
1,2,3,4,5,10a-hexahydroanthracene has a molecular weight of 184.28 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,10a-hexahydroanthracene is sourced from PubChem (CID 173432226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).