adamantane;ethane;methane

C16H36 — CID 157076952

IUPACadamantane;ethane;methane
SMILESC.C.C1C2CC3CC1CC(C2)C3.CC.CC
InChIInChI=1S/C10H16.2C2H6.2CH4/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2;;/h7-10H,1-6H2;2*1-2H3;2*1H4
InChIKeyADBSPIMIMVHZHA-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.16
Rot. Bonds

About adamantane;ethane;methane

adamantane;ethane;methane (PubChem CID 157076952) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is adamantane;ethane;methane.

Molecular Properties

Compound Nameadamantane;ethane;methane
PubChem CID157076952
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameadamantane;ethane;methane
SMILESC.C.C1C2CC3CC1CC(C2)C3.CC.CC
InChIInChI=1S/C10H16.2C2H6.2CH4/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2;;/h7-10H,1-6H2;2*1-2H3;2*1H4
InChIKeyADBSPIMIMVHZHA-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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adamantane;hydrate
CID 137498586
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Frequently Asked Questions

What is the IUPAC name of adamantane;ethane;methane?
The IUPAC name of adamantane;ethane;methane (CID 157076952) is adamantane;ethane;methane.
What is the SMILES notation for adamantane;ethane;methane?
The canonical SMILES for adamantane;ethane;methane is C.C.C1C2CC3CC1CC(C2)C3.CC.CC.
What is the InChIKey of adamantane;ethane;methane?
The InChIKey is ADBSPIMIMVHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C2H6.2CH4/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2;;/h7-10H,1-6H2;2*1-2H3;2*1H4.
What are the key properties of adamantane;ethane;methane?
adamantane;ethane;methane has a molecular weight of 228.46 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 is sourced from PubChem (CID 157076952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).