butane;chrysene;ethane

C24H28 — CID 143984277

IUPACbutane;chrysene;ethane
SMILESCC.CCCC.c1ccc2c(c1)ccc1c3ccccc3ccc21
InChIInChI=1S/C18H12.C4H10.C2H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-4-2;1-2/h1-12H;3-4H2,1-2H3;1-2H3
InChIKeyCSBPECUOWRGBKJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP7.98
Rot. Bonds1

About butane;chrysene;ethane

butane;chrysene;ethane (PubChem CID 143984277) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is butane;chrysene;ethane.

Molecular Properties

Compound Namebutane;chrysene;ethane
PubChem CID143984277
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Namebutane;chrysene;ethane
SMILESCC.CCCC.c1ccc2c(c1)ccc1c3ccccc3ccc21
InChIInChI=1S/C18H12.C4H10.C2H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-4-2;1-2/h1-12H;3-4H2,1-2H3;1-2H3
InChIKeyCSBPECUOWRGBKJ-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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butane;ethane;naphthalene
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butane;ethane;naphthalene
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butane;ethane;naphthalene
CID 54028407
heptane;phenanthrene
CID 157482146
chrysene;2-methylprop-1-ene
CID 173244266
phenanthrene;sulfane
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phenanthrene;phosphane
CID 161431298
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039

Frequently Asked Questions

What is the IUPAC name of butane;chrysene;ethane?
The IUPAC name of butane;chrysene;ethane (CID 143984277) is butane;chrysene;ethane.
What is the SMILES notation for butane;chrysene;ethane?
The canonical SMILES for butane;chrysene;ethane is CC.CCCC.c1ccc2c(c1)ccc1c3ccccc3ccc21.
What is the InChIKey of butane;chrysene;ethane?
The InChIKey is CSBPECUOWRGBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C4H10.C2H6/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-4-2;1-2/h1-12H;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;chrysene;ethane?
butane;chrysene;ethane has a molecular weight of 316.49 g/mol, XLogP of 7.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;chrysene;ethane is sourced from PubChem (CID 143984277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).