1-but-1-en-2-yladamantane

C14H22 — CID 13086467

IUPAC1-but-1-en-2-yladamantane
SMILESC=C(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13H,2-9H2,1H3
InChIKeyQNRFSXPIZJUXCW-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds2

About 1-but-1-en-2-yladamantane

1-but-1-en-2-yladamantane (PubChem CID 13086467) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-but-1-en-2-yladamantane.

Molecular Properties

Compound Name1-but-1-en-2-yladamantane
PubChem CID13086467
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-but-1-en-2-yladamantane
SMILESC=C(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13H,2-9H2,1H3
InChIKeyQNRFSXPIZJUXCW-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

beta-Copaene
CID 57339298
Npc252268
CID 519779
1-Vinyladamantane
CID 570934
beta-Ylangene
CID 25244198
(3'R)-3'-(2-methylpropyl)-4'-prop-1-en-2-ylspiro[adamantane-2,1'-cyclohexane]
CID 44391056
(3'R)-4'-prop-1-en-2-yl-3'-propylspiro[adamantane-2,1'-cyclohexane]
CID 44391070
2-Isopropenyl-2-methyladamantane
CID 10397667
2-Methyleneadamantane
CID 136684
(-)-beta-Copaene
CID 21722369
Hydropyrene
CID 132526301
(1S,2R,6R,7R,8R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 162867025
1-Ethyl-3-vinyl-adamantane
CID 595127

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yladamantane?
The IUPAC name of 1-but-1-en-2-yladamantane (CID 13086467) is 1-but-1-en-2-yladamantane.
What is the SMILES notation for 1-but-1-en-2-yladamantane?
The canonical SMILES for 1-but-1-en-2-yladamantane is C=C(CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-but-1-en-2-yladamantane?
The InChIKey is QNRFSXPIZJUXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13H,2-9H2,1H3.
What are the key properties of 1-but-1-en-2-yladamantane?
1-but-1-en-2-yladamantane has a molecular weight of 190.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yladamantane is sourced from PubChem (CID 13086467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).