1-but-3-enyladamantane

C14H22 — CID 134862497

IUPAC1-but-3-enyladamantane
SMILESC=CCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-2-3-4-14-8-11-5-12(9-14)7-13(6-11)10-14/h2,11-13H,1,3-10H2
InChIKeyICVVBWQPKDKOBZ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds3

About 1-but-3-enyladamantane

1-but-3-enyladamantane (PubChem CID 134862497) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-but-3-enyladamantane.

Molecular Properties

Compound Name1-but-3-enyladamantane
PubChem CID134862497
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-but-3-enyladamantane
SMILESC=CCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-2-3-4-14-8-11-5-12(9-14)7-13(6-11)10-14/h2,11-13H,1,3-10H2
InChIKeyICVVBWQPKDKOBZ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
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-but-3-enyladamantane?
The IUPAC name of 1-but-3-enyladamantane (CID 134862497) is 1-but-3-enyladamantane.
What is the SMILES notation for 1-but-3-enyladamantane?
The canonical SMILES for 1-but-3-enyladamantane is C=CCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-but-3-enyladamantane?
The InChIKey is ICVVBWQPKDKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-4-14-8-11-5-12(9-14)7-13(6-11)10-14/h2,11-13H,1,3-10H2.
What are the key properties of 1-but-3-enyladamantane?
1-but-3-enyladamantane has a molecular weight of 190.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyladamantane is sourced from PubChem (CID 134862497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).