1-methyl-3-(3-methylbut-3-en-2-yl)adamantane

C16H26 — CID 123369288

IUPAC1-methyl-3-(3-methylbut-3-en-2-yl)adamantane
SMILESC=C(C)C(C)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H26/c1-11(2)12(3)16-8-13-5-14(9-16)7-15(4,6-13)10-16/h12-14H,1,5-10H2,2-4H3
InChIKeyZZILZQSHWFSNKF-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.81
Rot. Bonds2

About 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane

1-methyl-3-(3-methylbut-3-en-2-yl)adamantane (PubChem CID 123369288) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane.

Molecular Properties

Compound Name1-methyl-3-(3-methylbut-3-en-2-yl)adamantane
PubChem CID123369288
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-methyl-3-(3-methylbut-3-en-2-yl)adamantane
SMILESC=C(C)C(C)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H26/c1-11(2)12(3)16-8-13-5-14(9-16)7-15(4,6-13)10-16/h12-14H,1,5-10H2,2-4H3
InChIKeyZZILZQSHWFSNKF-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.81
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-methyl-3-(3-methylbut-3-en-2-yl)adamantane?
The IUPAC name of 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane (CID 123369288) is 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane.
What is the SMILES notation for 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane?
The canonical SMILES for 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane is C=C(C)C(C)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane?
The InChIKey is ZZILZQSHWFSNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-11(2)12(3)16-8-13-5-14(9-16)7-15(4,6-13)10-16/h12-14H,1,5-10H2,2-4H3.
What are the key properties of 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane?
1-methyl-3-(3-methylbut-3-en-2-yl)adamantane has a molecular weight of 218.38 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbut-3-en-2-yl)adamantane is sourced from PubChem (CID 123369288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).