1,2,3,6,6a,7-hexahydrochrysene

C18H18 — CID 174873535

IUPAC1,2,3,6,6a,7-hexahydrochrysene
SMILESC1=CCC2CC=c3c(ccc4c3=CCCC4)C2=C1
InChIInChI=1S/C18H18/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,7-8,10-13H,2,4-6,9H2
InChIKeyLIVQCBBJNYNNRU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds

About 1,2,3,6,6a,7-hexahydrochrysene

1,2,3,6,6a,7-hexahydrochrysene (PubChem CID 174873535) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,2,3,6,6a,7-hexahydrochrysene.

Molecular Properties

Compound Name1,2,3,6,6a,7-hexahydrochrysene
PubChem CID174873535
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1,2,3,6,6a,7-hexahydrochrysene
SMILESC1=CCC2CC=c3c(ccc4c3=CCCC4)C2=C1
InChIInChI=1S/C18H18/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,7-8,10-13H,2,4-6,9H2
InChIKeyLIVQCBBJNYNNRU-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,6-tetrahydrochrysene
CID 174255950
3-methyl-7,7a-dihydro-1H-indene
CID 90996575
2,3,4,4a,5,6,6a,7-octahydrophenanthridine
CID 91176715
6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123367160
benzoyl benzoate;1,2,3,6-tetrahydrochrysene
CID 174591475
9-(5-methylcyclohexa-1,5-dien-1-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123504389
pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
CID 174819544
7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123872795
spiro[1,9a-dihydrofluorene-9,4'-2,3-dihydro-1H-naphthalene]
CID 163783205
1,9,10,10a-tetrahydrophenanthren-9-amine
CID 70670077
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1,2,3,6-tetrahydrochrysene;hydrate
CID 174399139
2-fluoro-2,3,3a,4-tetrahydroinden-1-one
CID 151740601

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,6a,7-hexahydrochrysene?
The IUPAC name of 1,2,3,6,6a,7-hexahydrochrysene (CID 174873535) is 1,2,3,6,6a,7-hexahydrochrysene.
What is the SMILES notation for 1,2,3,6,6a,7-hexahydrochrysene?
The canonical SMILES for 1,2,3,6,6a,7-hexahydrochrysene is C1=CCC2CC=c3c(ccc4c3=CCCC4)C2=C1.
What is the InChIKey of 1,2,3,6,6a,7-hexahydrochrysene?
The InChIKey is LIVQCBBJNYNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,7-8,10-13H,2,4-6,9H2.
What are the key properties of 1,2,3,6,6a,7-hexahydrochrysene?
1,2,3,6,6a,7-hexahydrochrysene has a molecular weight of 234.34 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,6a,7-hexahydrochrysene is sourced from PubChem (CID 174873535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).