6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one

C18H18O — CID 91491967

IUPAC6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one
SMILESO=C1CC2CCCCC2c2ccc3ccccc3c21
InChIInChI=1S/C18H18O/c19-17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1,4-5,8-10,13-14H,2-3,6-7,11H2
InChIKeyATSROHJJNOEMLR-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.70
Rot. Bonds

About 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one

6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one (PubChem CID 91491967) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one.

Molecular Properties

Compound Name6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one
PubChem CID91491967
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one
SMILESO=C1CC2CCCCC2c2ccc3ccccc3c21
InChIInChI=1S/C18H18O/c19-17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1,4-5,8-10,13-14H,2-3,6-7,11H2
InChIKeyATSROHJJNOEMLR-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 139122410
3-(4-aminophenyl)-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 89233024
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one
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(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one
CID 11160715
2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene
CID 102361074
(3S,3aS,7aR)-3-naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 101352887
[1-(2-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 155147383
3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 2869986
(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 781607
3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 45035436

Frequently Asked Questions

What is the IUPAC name of 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one?
The IUPAC name of 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one (CID 91491967) is 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one.
What is the SMILES notation for 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one?
The canonical SMILES for 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one is O=C1CC2CCCCC2c2ccc3ccccc3c21.
What is the InChIKey of 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one?
The InChIKey is ATSROHJJNOEMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c19-17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1,4-5,8-10,13-14H,2-3,6-7,11H2.
What are the key properties of 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one?
6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one has a molecular weight of 250.34 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one is sourced from PubChem (CID 91491967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).