1-pent-4-enoxyadamantane

C15H24O — CID 162401366

IUPAC1-pent-4-enoxyadamantane
SMILESC=CCCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O/c1-2-3-4-5-16-15-9-12-6-13(10-15)8-14(7-12)11-15/h2,12-14H,1,3-11H2
InChIKeySHIGHHIDLOAYKH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds5

About 1-pent-4-enoxyadamantane

1-pent-4-enoxyadamantane (PubChem CID 162401366) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-pent-4-enoxyadamantane.

Molecular Properties

Compound Name1-pent-4-enoxyadamantane
PubChem CID162401366
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-pent-4-enoxyadamantane
SMILESC=CCCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O/c1-2-3-4-5-16-15-9-12-6-13(10-15)8-14(7-12)11-15/h2,12-14H,1,3-11H2
InChIKeySHIGHHIDLOAYKH-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-pent-4-enoxyadamantane?
The IUPAC name of 1-pent-4-enoxyadamantane (CID 162401366) is 1-pent-4-enoxyadamantane.
What is the SMILES notation for 1-pent-4-enoxyadamantane?
The canonical SMILES for 1-pent-4-enoxyadamantane is C=CCCCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-pent-4-enoxyadamantane?
The InChIKey is SHIGHHIDLOAYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-5-16-15-9-12-6-13(10-15)8-14(7-12)11-15/h2,12-14H,1,3-11H2.
What are the key properties of 1-pent-4-enoxyadamantane?
1-pent-4-enoxyadamantane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoxyadamantane is sourced from PubChem (CID 162401366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).