ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane

C30H56 — CID 143682433

IUPACethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane
SMILESCC.CC1CC(CCCc2cccc3c2CCCC3)C1.CCC.CCCCC(C)C
InChIInChI=1S/C18H26.C7H16.C3H8.C2H6/c1-14-12-15(13-14)6-4-8-17-10-5-9-16-7-2-3-11-18(16)17;1-4-5-6-7(2)3;1-3-2;1-2/h5,9-10,14-15H,2-4,6-8,11-13H2,1H3;7H,4-6H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyVFKNQINTWMUZLB-UHFFFAOYSA-N
MW416.78 g/mol
LogP10.21
Rot. Bonds7

About ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane

ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane (PubChem CID 143682433) has the molecular formula C30H56 and a molecular weight of 416.78 g/mol. Its IUPAC name is ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane.

Molecular Properties

Compound Nameethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane
PubChem CID143682433
Molecular FormulaC30H56
Molecular Weight416.78 g/mol
Exact Mass416.44
IUPAC Nameethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane
SMILESCC.CC1CC(CCCc2cccc3c2CCCC3)C1.CCC.CCCCC(C)C
InChIInChI=1S/C18H26.C7H16.C3H8.C2H6/c1-14-12-15(13-14)6-4-8-17-10-5-9-16-7-2-3-11-18(16)17;1-4-5-6-7(2)3;1-3-2;1-2/h5,9-10,14-15H,2-4,6-8,11-13H2,1H3;7H,4-6H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyVFKNQINTWMUZLB-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane?
The IUPAC name of ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane (CID 143682433) is ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane.
What is the SMILES notation for ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane?
The canonical SMILES for ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane is CC.CC1CC(CCCc2cccc3c2CCCC3)C1.CCC.CCCCC(C)C.
What is the InChIKey of ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane?
The InChIKey is VFKNQINTWMUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26.C7H16.C3H8.C2H6/c1-14-12-15(13-14)6-4-8-17-10-5-9-16-7-2-3-11-18(16)17;1-4-5-6-7(2)3;1-3-2;1-2/h5,9-10,14-15H,2-4,6-8,11-13H2,1H3;7H,4-6H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane?
ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane has a molecular weight of 416.78 g/mol, XLogP of 10.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[3-(3-methylcyclobutyl)propyl]-1,2,3,4-tetrahydronaphthalene;2-methylhexane;propane is sourced from PubChem (CID 143682433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).