1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane

C26H38 — CID 173113583

IUPAC1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane
SMILESC/C=C\C12CC3CC(C1)CC(C14CC5CC(CC(/C=C\C)(C5)C1)C4)(C3)C2
InChIInChI=1S/C26H38/c1-3-5-23-9-19-7-20(10-23)14-25(13-19,17-23)26-15-21-8-22(16-26)12-24(11-21,18-26)6-4-2/h3-6,19-22H,7-18H2,1-2H3/b5-3-,6-4-
InChIKeySTRURHANAADFDB-GLIMQPGKSA-N
MW350.59 g/mol
LogP7.31
Rot. Bonds3

About 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane

1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane (PubChem CID 173113583) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane
PubChem CID173113583
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane
SMILESC/C=C\C12CC3CC(C1)CC(C14CC5CC(CC(/C=C\C)(C5)C1)C4)(C3)C2
InChIInChI=1S/C26H38/c1-3-5-23-9-19-7-20(10-23)14-25(13-19,17-23)26-15-21-8-22(16-26)12-24(11-21,18-26)6-4-2/h3-6,19-22H,7-18H2,1-2H3/b5-3-,6-4-
InChIKeySTRURHANAADFDB-GLIMQPGKSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.31
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 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane?
The IUPAC name of 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane (CID 173113583) is 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane is C/C=C\C12CC3CC(C1)CC(C14CC5CC(CC(/C=C\C)(C5)C1)C4)(C3)C2.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane?
The InChIKey is STRURHANAADFDB-GLIMQPGKSA-N. The full InChI is InChI=1S/C26H38/c1-3-5-23-9-19-7-20(10-23)14-25(13-19,17-23)26-15-21-8-22(16-26)12-24(11-21,18-26)6-4-2/h3-6,19-22H,7-18H2,1-2H3/b5-3-,6-4-.
What are the key properties of 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane?
1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane has a molecular weight of 350.59 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane is sourced from PubChem (CID 173113583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).