adamantane;ethane

C28H56 — CID 90892828

IUPACadamantane;ethane
SMILESC1C2CC3CC1CC(C2)C3.C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC
InChIInChI=1S/2C10H16.4C2H6/c2*1-7-2-9-4-8(1)5-10(3-7)6-9;4*1-2/h2*7-10H,1-6H2;4*1-2H3
InChIKeyUCIXARGORNSBCC-UHFFFAOYSA-N
MW392.76 g/mol
LogP9.77
Rot. Bonds

About adamantane;ethane

adamantane;ethane (PubChem CID 90892828) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is adamantane;ethane.

Molecular Properties

Compound Nameadamantane;ethane
PubChem CID90892828
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Nameadamantane;ethane
SMILESC1C2CC3CC1CC(C2)C3.C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC
InChIInChI=1S/2C10H16.4C2H6/c2*1-7-2-9-4-8(1)5-10(3-7)6-9;4*1-2/h2*7-10H,1-6H2;4*1-2H3
InChIKeyUCIXARGORNSBCC-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of adamantane;ethane?
The IUPAC name of adamantane;ethane (CID 90892828) is adamantane;ethane.
What is the SMILES notation for adamantane;ethane?
The canonical SMILES for adamantane;ethane is C1C2CC3CC1CC(C2)C3.C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.
What is the InChIKey of adamantane;ethane?
The InChIKey is UCIXARGORNSBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16.4C2H6/c2*1-7-2-9-4-8(1)5-10(3-7)6-9;4*1-2/h2*7-10H,1-6H2;4*1-2H3.
What are the key properties of adamantane;ethane?
adamantane;ethane has a molecular weight of 392.76 g/mol, XLogP of 9.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;ethane is sourced from PubChem (CID 90892828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).