dec-1-ene;1-ethenyladamantane

C22H38 — CID 173373199

IUPACdec-1-ene;1-ethenyladamantane
SMILESC=CC12CC3CC(CC(C3)C1)C2.C=CCCCCCCCC
InChIInChI=1S/C12H18.C10H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-3-5-7-9-10-8-6-4-2/h2,9-11H,1,3-8H2;3H,1,4-10H2,2H3
InChIKeyDBGUBLRZWSWHAJ-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.31
Rot. Bonds8

About dec-1-ene;1-ethenyladamantane

dec-1-ene;1-ethenyladamantane (PubChem CID 173373199) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is dec-1-ene;1-ethenyladamantane.

Molecular Properties

Compound Namedec-1-ene;1-ethenyladamantane
PubChem CID173373199
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Namedec-1-ene;1-ethenyladamantane
SMILESC=CC12CC3CC(CC(C3)C1)C2.C=CCCCCCCCC
InChIInChI=1S/C12H18.C10H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-3-5-7-9-10-8-6-4-2/h2,9-11H,1,3-8H2;3H,1,4-10H2,2H3
InChIKeyDBGUBLRZWSWHAJ-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dec-1-ene;1-ethenyladamantane?
The IUPAC name of dec-1-ene;1-ethenyladamantane (CID 173373199) is dec-1-ene;1-ethenyladamantane.
What is the SMILES notation for dec-1-ene;1-ethenyladamantane?
The canonical SMILES for dec-1-ene;1-ethenyladamantane is C=CC12CC3CC(CC(C3)C1)C2.C=CCCCCCCCC.
What is the InChIKey of dec-1-ene;1-ethenyladamantane?
The InChIKey is DBGUBLRZWSWHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C10H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-3-5-7-9-10-8-6-4-2/h2,9-11H,1,3-8H2;3H,1,4-10H2,2H3.
What are the key properties of dec-1-ene;1-ethenyladamantane?
dec-1-ene;1-ethenyladamantane has a molecular weight of 302.55 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-ene;1-ethenyladamantane is sourced from PubChem (CID 173373199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).