2-ethylideneadamantane

C12H18 — CID 2795221

IUPAC2-ethylideneadamantane
SMILESCC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11H,3-7H2,1H3/b12-2-
InChIKeyDDSATBSDGAPDPM-OIXVIMQBSA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds

About 2-ethylideneadamantane

2-ethylideneadamantane (PubChem CID 2795221) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-ethylideneadamantane.

Molecular Properties

Compound Name2-ethylideneadamantane
PubChem CID2795221
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-ethylideneadamantane
SMILESCC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11H,3-7H2,1H3/b12-2-
InChIKeyDDSATBSDGAPDPM-OIXVIMQBSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
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 2-ethylideneadamantane?
The IUPAC name of 2-ethylideneadamantane (CID 2795221) is 2-ethylideneadamantane.
What is the SMILES notation for 2-ethylideneadamantane?
The canonical SMILES for 2-ethylideneadamantane is CC=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethylideneadamantane?
The InChIKey is DDSATBSDGAPDPM-OIXVIMQBSA-N. The full InChI is InChI=1S/C12H18/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11H,3-7H2,1H3/b12-2-.
What are the key properties of 2-ethylideneadamantane?
2-ethylideneadamantane has a molecular weight of 162.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylideneadamantane is sourced from PubChem (CID 2795221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).