adamantane;ethane;methane;2-methylpropane

C17H36 — CID 158164566

IUPACadamantane;ethane;methane;2-methylpropane
SMILESC.C1C2CC3CC1CC(C2)C3.CC.CC(C)C
InChIInChI=1S/C10H16.C4H10.C2H6.CH4/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4(2)3;1-2;/h7-10H,1-6H2;4H,1-3H3;1-2H3;1H4
InChIKeyFWRLIQYOIZMPCG-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.16
Rot. Bonds

About adamantane;ethane;methane;2-methylpropane

adamantane;ethane;methane;2-methylpropane (PubChem CID 158164566) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is adamantane;ethane;methane;2-methylpropane.

Molecular Properties

Compound Nameadamantane;ethane;methane;2-methylpropane
PubChem CID158164566
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Nameadamantane;ethane;methane;2-methylpropane
SMILESC.C1C2CC3CC1CC(C2)C3.CC.CC(C)C
InChIInChI=1S/C10H16.C4H10.C2H6.CH4/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4(2)3;1-2;/h7-10H,1-6H2;4H,1-3H3;1-2H3;1H4
InChIKeyFWRLIQYOIZMPCG-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of adamantane;ethane;methane;2-methylpropane?
The IUPAC name of adamantane;ethane;methane;2-methylpropane (CID 158164566) is adamantane;ethane;methane;2-methylpropane.
What is the SMILES notation for adamantane;ethane;methane;2-methylpropane?
The canonical SMILES for adamantane;ethane;methane;2-methylpropane is C.C1C2CC3CC1CC(C2)C3.CC.CC(C)C.
What is the InChIKey of adamantane;ethane;methane;2-methylpropane?
The InChIKey is FWRLIQYOIZMPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C4H10.C2H6.CH4/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4(2)3;1-2;/h7-10H,1-6H2;4H,1-3H3;1-2H3;1H4.
What are the key properties of adamantane;ethane;methane;2-methylpropane?
adamantane;ethane;methane;2-methylpropane has a molecular weight of 240.47 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;ethane;methane;2-methylpropane is sourced from PubChem (CID 158164566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).