1-hex-5-enyladamantane

C16H26 — CID 14002508

IUPAC1-hex-5-enyladamantane
SMILESC=CCCCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26/c1-2-3-4-5-6-16-10-13-7-14(11-16)9-15(8-13)12-16/h2,13-15H,1,3-12H2
InChIKeyQFFQTNYZRYHMOB-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.95
Rot. Bonds5

About 1-hex-5-enyladamantane

1-hex-5-enyladamantane (PubChem CID 14002508) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-hex-5-enyladamantane.

Molecular Properties

Compound Name1-hex-5-enyladamantane
PubChem CID14002508
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-hex-5-enyladamantane
SMILESC=CCCCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26/c1-2-3-4-5-6-16-10-13-7-14(11-16)9-15(8-13)12-16/h2,13-15H,1,3-12H2
InChIKeyQFFQTNYZRYHMOB-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.95
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 1-hex-5-enyladamantane?
The IUPAC name of 1-hex-5-enyladamantane (CID 14002508) is 1-hex-5-enyladamantane.
What is the SMILES notation for 1-hex-5-enyladamantane?
The canonical SMILES for 1-hex-5-enyladamantane is C=CCCCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-hex-5-enyladamantane?
The InChIKey is QFFQTNYZRYHMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-2-3-4-5-6-16-10-13-7-14(11-16)9-15(8-13)12-16/h2,13-15H,1,3-12H2.
What are the key properties of 1-hex-5-enyladamantane?
1-hex-5-enyladamantane has a molecular weight of 218.38 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enyladamantane is sourced from PubChem (CID 14002508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).