2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene

C13H18 — CID 142195089

IUPAC2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
SMILESC=CC1CC2C=CC=CC2CC1C
InChIInChI=1S/C13H18/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2/h3-7,10-13H,1,8-9H2,2H3
InChIKeyMPRKTULQZFTOBN-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.58
Rot. Bonds1

About 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene

2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene (PubChem CID 142195089) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene.

Molecular Properties

Compound Name2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
PubChem CID142195089
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
SMILESC=CC1CC2C=CC=CC2CC1C
InChIInChI=1S/C13H18/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2/h3-7,10-13H,1,8-9H2,2H3
InChIKeyMPRKTULQZFTOBN-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.58
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

ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
CID 142195088
1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140862858
[1-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630452
1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 148825764
2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575
2-ethenylcyclopropan-1-ol
CID 54500145
cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane
CID 16698025
1-ethenyl-3-[2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 161165849

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene?
The IUPAC name of 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene (CID 142195089) is 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene.
What is the SMILES notation for 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene?
The canonical SMILES for 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene is C=CC1CC2C=CC=CC2CC1C.
What is the InChIKey of 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene?
The InChIKey is MPRKTULQZFTOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2/h3-7,10-13H,1,8-9H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene?
2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene has a molecular weight of 174.29 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene is sourced from PubChem (CID 142195089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).