1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene

C16H20 — CID 86143848

IUPAC1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene
SMILESC1=CCC2C(=C1)C1=C3C(CCC1)CCCC32
InChIInChI=1S/C16H20/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-2,7,11,13,15H,3-6,8-10H2
InChIKeyDQXHJOFURLIDNJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.40
Rot. Bonds

About 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene

1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene (PubChem CID 86143848) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene
PubChem CID86143848
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene
SMILESC1=CCC2C(=C1)C1=C3C(CCC1)CCCC32
InChIInChI=1S/C16H20/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-2,7,11,13,15H,3-6,8-10H2
InChIKeyDQXHJOFURLIDNJ-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene?
The IUPAC name of 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene (CID 86143848) is 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene?
The canonical SMILES for 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene is C1=CCC2C(=C1)C1=C3C(CCC1)CCCC32.
What is the InChIKey of 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene?
The InChIKey is DQXHJOFURLIDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-2,7,11,13,15H,3-6,8-10H2.
What are the key properties of 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene?
1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene has a molecular weight of 212.34 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a,6b,7-decahydrofluoranthene is sourced from PubChem (CID 86143848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).