ethane;fluoranthene;3-methylpentane

C28H42 — CID 90824236

IUPACethane;fluoranthene;3-methylpentane
SMILESCC.CC.CC.CCC(C)CC.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H10.C6H14.3C2H6/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-4-6(3)5-2;3*1-2/h1-10H;6H,4-5H2,1-3H3;3*1-2H3
InChIKeySNIJCMFIMMKHQM-UHFFFAOYSA-N
MW378.64 g/mol
LogP10.01
Rot. Bonds2

About ethane;fluoranthene;3-methylpentane

ethane;fluoranthene;3-methylpentane (PubChem CID 90824236) has the molecular formula C28H42 and a molecular weight of 378.64 g/mol. Its IUPAC name is ethane;fluoranthene;3-methylpentane.

Molecular Properties

Compound Nameethane;fluoranthene;3-methylpentane
PubChem CID90824236
Molecular FormulaC28H42
Molecular Weight378.64 g/mol
Exact Mass378.33
IUPAC Nameethane;fluoranthene;3-methylpentane
SMILESCC.CC.CC.CCC(C)CC.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H10.C6H14.3C2H6/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-4-6(3)5-2;3*1-2/h1-10H;6H,4-5H2,1-3H3;3*1-2H3
InChIKeySNIJCMFIMMKHQM-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;fluoranthene;3-methylpentane?
The IUPAC name of ethane;fluoranthene;3-methylpentane (CID 90824236) is ethane;fluoranthene;3-methylpentane.
What is the SMILES notation for ethane;fluoranthene;3-methylpentane?
The canonical SMILES for ethane;fluoranthene;3-methylpentane is CC.CC.CC.CCC(C)CC.c1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of ethane;fluoranthene;3-methylpentane?
The InChIKey is SNIJCMFIMMKHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C6H14.3C2H6/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-4-6(3)5-2;3*1-2/h1-10H;6H,4-5H2,1-3H3;3*1-2H3.
What are the key properties of ethane;fluoranthene;3-methylpentane?
ethane;fluoranthene;3-methylpentane has a molecular weight of 378.64 g/mol, XLogP of 10.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoranthene;3-methylpentane is sourced from PubChem (CID 90824236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).