1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane

C31H48 — CID 159055712

IUPAC1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane
SMILESC=CC12CC3(C)CC(C)(C1)CC(C=C)(C3)C2.C=CC12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H24.C15H24/c1-5-15-8-13(3)7-14(4,9-15)11-16(6-2,10-13)12-15;1-5-15-9-12(2)6-13(3,10-15)8-14(4,7-12)11-15/h5-6H,1-2,7-12H2,3-4H3;5H,1,6-11H2,2-4H3
InChIKeyJXVIDHWWRGSLSG-UHFFFAOYSA-N
MW420.73 g/mol
LogP9.28
Rot. Bonds3

About 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane

1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane (PubChem CID 159055712) has the molecular formula C31H48 and a molecular weight of 420.73 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane.

Molecular Properties

Compound Name1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane
PubChem CID159055712
Molecular FormulaC31H48
Molecular Weight420.73 g/mol
Exact Mass420.38
IUPAC Name1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane
SMILESC=CC12CC3(C)CC(C)(C1)CC(C=C)(C3)C2.C=CC12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H24.C15H24/c1-5-15-8-13(3)7-14(4,9-15)11-16(6-2,10-13)12-15;1-5-15-9-12(2)6-13(3,10-15)8-14(4,7-12)11-15/h5-6H,1-2,7-12H2,3-4H3;5H,1,6-11H2,2-4H3
InChIKeyJXVIDHWWRGSLSG-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 59.28
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

1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane
CID 140892092
5,7-dimethyltetracyclo[3.3.1.13,7.01,3]decane
CID 101114626
3-ethyl-5,7-dimethyladamantane-1-carbaldehyde
CID 57272304
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
1-fluoro-3,5,7-trimethyladamantane
CID 23235267
azanium 3,5,7-trimethyladamantan-1-olate
CID 142767808
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane
CID 171498322
3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 2885888
1-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methylbicyclo[1.1.1]pentane
CID 177243444
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
CID 163966943
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methylbicyclo[1.1.1]pentane
CID 177243443

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane?
The IUPAC name of 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane (CID 159055712) is 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane.
What is the SMILES notation for 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane?
The canonical SMILES for 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane is C=CC12CC3(C)CC(C)(C1)CC(C=C)(C3)C2.C=CC12CC3(C)CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane?
The InChIKey is JXVIDHWWRGSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C15H24/c1-5-15-8-13(3)7-14(4,9-15)11-16(6-2,10-13)12-15;1-5-15-9-12(2)6-13(3,10-15)8-14(4,7-12)11-15/h5-6H,1-2,7-12H2,3-4H3;5H,1,6-11H2,2-4H3.
What are the key properties of 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane?
1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane has a molecular weight of 420.73 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane is sourced from PubChem (CID 159055712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).