1,3a,4,10c-tetrahydrofluoranthene;ethane

C24H38 — CID 123404833

IUPAC1,3a,4,10c-tetrahydrofluoranthene;ethane
SMILESC1=CC2CC=CC3=c4ccccc4=C(C1)C32.CC.CC.CC.CC
InChIInChI=1S/C16H14.4C2H6/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;4*1-2/h1-5,7-8,10-11,16H,6,9H2;4*1-2H3
InChIKeySXRAODLNRCERPY-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.26
Rot. Bonds

About 1,3a,4,10c-tetrahydrofluoranthene;ethane

1,3a,4,10c-tetrahydrofluoranthene;ethane (PubChem CID 123404833) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 1,3a,4,10c-tetrahydrofluoranthene;ethane.

Molecular Properties

Compound Name1,3a,4,10c-tetrahydrofluoranthene;ethane
PubChem CID123404833
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name1,3a,4,10c-tetrahydrofluoranthene;ethane
SMILESC1=CC2CC=CC3=c4ccccc4=C(C1)C32.CC.CC.CC.CC
InChIInChI=1S/C16H14.4C2H6/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;4*1-2/h1-5,7-8,10-11,16H,6,9H2;4*1-2H3
InChIKeySXRAODLNRCERPY-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3a,4,10c-tetrahydrofluoranthene;ethane?
The IUPAC name of 1,3a,4,10c-tetrahydrofluoranthene;ethane (CID 123404833) is 1,3a,4,10c-tetrahydrofluoranthene;ethane.
What is the SMILES notation for 1,3a,4,10c-tetrahydrofluoranthene;ethane?
The canonical SMILES for 1,3a,4,10c-tetrahydrofluoranthene;ethane is C1=CC2CC=CC3=c4ccccc4=C(C1)C32.CC.CC.CC.CC.
What is the InChIKey of 1,3a,4,10c-tetrahydrofluoranthene;ethane?
The InChIKey is SXRAODLNRCERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.4C2H6/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;4*1-2/h1-5,7-8,10-11,16H,6,9H2;4*1-2H3.
What are the key properties of 1,3a,4,10c-tetrahydrofluoranthene;ethane?
1,3a,4,10c-tetrahydrofluoranthene;ethane has a molecular weight of 326.57 g/mol, XLogP of 6.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,10c-tetrahydrofluoranthene;ethane is sourced from PubChem (CID 123404833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).