adamantane;but-2-ene;ethane

C16H30 — CID 90963608

IUPACadamantane;but-2-ene;ethane
SMILESC1C2CC3CC1CC(C2)C3.CC.CC=CC
InChIInChI=1S/C10H16.C4H8.C2H6/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-4-2;1-2/h7-10H,1-6H2;3-4H,1-2H3;1-2H3
InChIKeyNUHQVNQCMPBIRG-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds

About adamantane;but-2-ene;ethane

adamantane;but-2-ene;ethane (PubChem CID 90963608) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is adamantane;but-2-ene;ethane.

Molecular Properties

Compound Nameadamantane;but-2-ene;ethane
PubChem CID90963608
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Nameadamantane;but-2-ene;ethane
SMILESC1C2CC3CC1CC(C2)C3.CC.CC=CC
InChIInChI=1S/C10H16.C4H8.C2H6/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-4-2;1-2/h7-10H,1-6H2;3-4H,1-2H3;1-2H3
InChIKeyNUHQVNQCMPBIRG-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of adamantane;but-2-ene;ethane?
The IUPAC name of adamantane;but-2-ene;ethane (CID 90963608) is adamantane;but-2-ene;ethane.
What is the SMILES notation for adamantane;but-2-ene;ethane?
The canonical SMILES for adamantane;but-2-ene;ethane is C1C2CC3CC1CC(C2)C3.CC.CC=CC.
What is the InChIKey of adamantane;but-2-ene;ethane?
The InChIKey is NUHQVNQCMPBIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C4H8.C2H6/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-4-2;1-2/h7-10H,1-6H2;3-4H,1-2H3;1-2H3.
What are the key properties of adamantane;but-2-ene;ethane?
adamantane;but-2-ene;ethane has a molecular weight of 222.42 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;but-2-ene;ethane is sourced from PubChem (CID 90963608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).